C1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable T2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> T51 C Shift Assignments>> CA :: 61.82 CB :: 69.15 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.224 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 115.299 Ave N Shift Values>> N :: 115.7(5.05) N3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.48 C 0.19 D 0.11 Y 0.07 F 0.05 E 0.03 M 0.01 L 0.01 C Shift Assignments>> C :: 175.15 CA :: 53.07 CB :: 37.98 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.44 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 121.088 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) L4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.22 L 0.18 K 0.13 C 0.12 F 0.12 Y 0.1 N 0.06 R 0.02 HN Overlap>> K37 A188 C Shift Assignments>> C :: 177.28 CA :: 55.29 CB :: 40.95 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.24 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 122.854 Ave N Shift Values>> N :: 121.98(4.07) N5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.46 C 0.19 D 0.12 Y 0.08 F 0.06 E 0.02 L 0.02 M 0.01 HN Overlap>> E122 C Shift Assignments>> C :: 175.71 CA :: 53.26 CB :: 38.19 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.378 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 118.684 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) G6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.76 L 0.09 C 0.08 R 0.03 HN Overlap>> S76 C Shift Assignments>> C :: 174.22 CA :: 45.26 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.26 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.216 Ave N Shift Values>> N :: 109.91(4.29) S7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.44 CA :: 58.21 CB :: 63.15 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.162 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.593 Ave N Shift Values>> N :: 116.3(3.95) Q8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.16 K 0.15 H 0.14 C 0.11 R 0.11 W 0.1 E 0.09 L 0.06 M 0.03 I 0.01 HN Overlap>> L63 C Shift Assignments>> C :: 175.67 CA :: 55.38 CB :: 28.66 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.389 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 121.873 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) E9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.17 C 0.14 R 0.14 H 0.13 Q 0.13 K 0.12 W 0.07 E 0.04 M 0.01 HN Overlap>> Q43 C Shift Assignments>> CA :: 53.52 CB :: 27.94 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.414 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 122.903 Ave N Shift Values>> N :: 120.68(3.68) P10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.36 V 0.28 I 0.14 C 0.1 W 0.05 R 0.01 E 0.01 C Shift Assignments>> C :: 176.72 CA :: 63.0 CB :: 30.91 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) A11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.77 M 0.19 C 0.01 C Shift Assignments>> C :: 177.42 CA :: 52.11 CB :: 18.28 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.322 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.081 Ave N Shift Values>> N :: 123.23(3.7) A12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.78 M 0.18 C 0.01 C Shift Assignments>> C :: 177.42 CA :: 51.98 CB :: 18.28 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.142 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.1 Ave N Shift Values>> N :: 123.23(3.7) A13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.78 M 0.19 C 0.01 HN Overlap>> D158 C Shift Assignments>> C :: 177.16 CA :: 51.99 CB :: 18.26 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.168 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.345 Ave N Shift Values>> N :: 123.23(3.7) N14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.6 C 0.18 D 0.11 Y 0.03 F 0.02 L 0.01 HN Overlap>> N22 Q155 V259 C Shift Assignments>> CA :: 51.1 CB :: 38.26 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.265 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 118.831 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) P15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.36 V 0.29 I 0.13 C 0.1 W 0.05 R 0.01 E 0.01 C Shift Assignments>> C :: 176.73 CA :: 63.01 CB :: 31.01 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) V16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.31 P 0.29 C 0.12 I 0.09 W 0.07 R 0.02 E 0.02 K 0.01 H 0.01 M 0.01 HN Overlap>> A134 E250 E267 C Shift Assignments>> C :: 176.23 CA :: 62.26 CB :: 31.52 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.147 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120.499 Ave N Shift Values>> N :: 121.02(4.96) V17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.31 P 0.22 C 0.15 W 0.08 I 0.06 R 0.04 E 0.03 K 0.02 M 0.02 H 0.02 HN Overlap>> A24 C Shift Assignments>> C :: 175.95 CA :: 61.73 CB :: 31.84 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.132 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 124.032 Ave N Shift Values>> N :: 121.02(4.96) S18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> L138 K203 C Shift Assignments>> C :: 174.13 CA :: 57.85 CB :: 63.16 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.347 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 120.009 Ave N Shift Values>> N :: 116.3(3.95) T19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> S291 C Shift Assignments>> CA :: 59.38 CB :: 69.25 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.193 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 118.243 Ave N Shift Values>> N :: 115.7(5.05) P20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.38 V 0.29 I 0.14 C 0.09 W 0.04 R 0.01 E 0.01 C Shift Assignments>> C :: 177.52 CA :: 63.37 CB :: 30.88 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) G21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.66 L 0.13 C 0.09 R 0.07 F 0.01 C Shift Assignments>> C :: 174.08 CA :: 44.96 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.445 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.216 Ave N Shift Values>> N :: 109.91(4.29) N22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.46 C 0.17 D 0.15 Y 0.08 F 0.06 L 0.02 E 0.02 HN Overlap>> N14 Q155 V259 C Shift Assignments>> C :: 175.11 CA :: 53.19 CB :: 38.42 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.265 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 118.831 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) D23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 N 0.17 C 0.13 L 0.13 F 0.1 Y 0.1 K 0.04 HN Overlap>> E41 A113 C Shift Assignments>> C :: 176.31 CA :: 54.39 CB :: 40.24 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.368 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.745 Ave N Shift Values>> N :: 120.73(4.2) A24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.7 M 0.26 C 0.01 HN Overlap>> V17 C Shift Assignments>> C :: 178.12 CA :: 52.76 CB :: 18.06 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.183 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.081 Ave N Shift Values>> N :: 123.23(3.7) Q25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.15 K 0.14 R 0.14 H 0.12 C 0.11 L 0.09 W 0.09 E 0.08 I 0.02 M 0.01 C Shift Assignments>> C :: 176.35 CA :: 55.97 CB :: 28.13 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.24 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 118.537 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) Q26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.15 K 0.14 R 0.14 H 0.12 C 0.11 L 0.1 W 0.09 E 0.08 M 0.01 I 0.01 HN Overlap>> E50 A175 C Shift Assignments>> C :: 175.92 CA :: 55.66 CB :: 28.17 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.229 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 120.745 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) A27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.73 M 0.24 C 0.01 C Shift Assignments>> C :: 178.35 CA :: 52.59 CB :: 18.23 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.301 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.062 Ave N Shift Values>> N :: 123.23(3.7) G28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.73 L 0.1 C 0.08 R 0.05 C Shift Assignments>> C :: 174.57 CA :: 45.15 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.342 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.94 Ave N Shift Values>> N :: 109.91(4.29) T29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.82 CA :: 61.73 CB :: 69.21 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.988 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 113.14 Ave N Shift Values>> N :: 115.7(5.05) Q30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.15 K 0.15 R 0.14 H 0.12 C 0.11 L 0.09 W 0.09 E 0.08 M 0.01 I 0.01 C Shift Assignments>> C :: 176.03 CA :: 55.74 CB :: 28.21 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.435 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 122.56 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) Q31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.15 K 0.15 H 0.13 R 0.13 C 0.11 W 0.09 E 0.08 L 0.07 M 0.02 I 0.01 HN Overlap>> Q46 E171 C Shift Assignments>> C :: 176.55 CA :: 55.8 CB :: 28.38 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.44 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 121.726 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) G32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.71 L 0.11 C 0.08 R 0.05 C Shift Assignments>> C :: 174.65 CA :: 45.11 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.44 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.295 Ave N Shift Values>> N :: 109.91(4.29) G33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.63 L 0.14 C 0.09 R 0.08 F 0.01 D 0.01 C Shift Assignments>> C :: 174.2 CA :: 44.88 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.25 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.774 Ave N Shift Values>> N :: 109.91(4.29) A34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.72 M 0.24 C 0.01 HN Overlap>> L293 C Shift Assignments>> C :: 177.76 CA :: 52.55 CB :: 18.08 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.291 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.885 Ave N Shift Values>> N :: 123.23(3.7) N35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.21 K 0.11 N 0.11 C 0.1 F 0.05 R 0.05 Y 0.04 HN Overlap>> S152 C Shift Assignments>> C :: 176.32 CA :: 53.08 CB :: 41.63 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.404 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 117.36 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) S36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> D61 T195 T208 C Shift Assignments>> C :: 174.46 CA :: 58.42 CB :: 63.04 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.142 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 116.133 Ave N Shift Values>> N :: 116.3(3.95) K37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.17 C 0.15 K 0.14 R 0.13 H 0.12 W 0.1 E 0.09 Q 0.06 V 0.01 HN Overlap>> L4 A188 C Shift Assignments>> C :: 176.51 CA :: 55.93 CB :: 31.8 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.27 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 122.756 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) S38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.08 CA :: 58.09 CB :: 63.06 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.234 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 117.114 Ave N Shift Values>> N :: 116.3(3.95) V39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.18 W 0.14 V 0.13 R 0.1 E 0.09 K 0.09 M 0.07 H 0.06 I 0.04 Q 0.03 P 0.01 C Shift Assignments>> CA :: 59.63 CB :: 31.69 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.075 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 122.609 Ave N Shift Values>> N :: 121.02(4.96) P40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.37 V 0.29 I 0.13 C 0.09 W 0.05 R 0.01 E 0.01 C Shift Assignments>> C :: 176.96 CA :: 63.11 CB :: 31.01 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) E41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.15 K 0.14 H 0.14 W 0.12 E 0.12 C 0.11 R 0.1 M 0.03 I 0.02 L 0.02 HN Overlap>> D23 A113 C Shift Assignments>> CA :: 56.53 CB :: 29.15 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.461 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.745 Ave N Shift Values>> N :: 120.68(3.68) Q42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.16 K 0.15 H 0.14 C 0.11 R 0.11 W 0.1 E 0.09 L 0.06 M 0.03 I 0.01 C Shift Assignments>> C :: 175.67 CA :: 55.4 CB :: 28.66 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.306 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 121.039 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) Q43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.17 C 0.14 R 0.14 H 0.13 Q 0.13 K 0.12 W 0.07 E 0.04 M 0.01 HN Overlap>> E9 C Shift Assignments>> C :: 181.89 CA :: 53.55 CB :: 27.95 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.389 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 122.805 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) P44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.37 V 0.29 I 0.13 C 0.09 W 0.05 R 0.01 E 0.01 C Shift Assignments>> C :: 176.96 CA :: 63.05 CB :: 31.01 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) Q45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.15 K 0.15 H 0.13 R 0.12 C 0.11 W 0.1 E 0.08 L 0.07 M 0.02 I 0.01 HN Overlap>> H197 C Shift Assignments>> C :: 176.03 CA :: 55.68 CB :: 28.43 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.491 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 120.598 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) Q46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.15 K 0.15 H 0.14 R 0.11 C 0.11 W 0.1 E 0.09 L 0.06 M 0.02 I 0.01 HN Overlap>> Q31 E171 A260 C Shift Assignments>> C :: 175.59 CA :: 55.53 CB :: 28.55 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.353 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 121.726 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) A47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.77 M 0.2 C 0.01 C Shift Assignments>> C :: 177.37 CA :: 52.14 CB :: 18.24 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.358 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.847 Ave N Shift Values>> N :: 123.23(3.7) A48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.75 M 0.22 C 0.01 C Shift Assignments>> C :: 178.27 CA :: 52.38 CB :: 18.24 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.286 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.737 Ave N Shift Values>> N :: 123.23(3.7) G49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.64 L 0.14 C 0.09 R 0.08 F 0.01 HN Overlap>> G285 C Shift Assignments>> C :: 174.11 CA :: 44.92 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.291 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.087 Ave N Shift Values>> N :: 109.91(4.29) E50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.14 H 0.14 K 0.13 E 0.12 W 0.12 R 0.11 C 0.11 M 0.04 I 0.01 L 0.01 HN Overlap>> Q26 A175 E267 C Shift Assignments>> C :: 176.9 CA :: 56.31 CB :: 29.43 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.245 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.647 Ave N Shift Values>> N :: 120.68(3.68) T51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> T2 C Shift Assignments>> C :: 174.71 CA :: 62.33 CB :: 69.13 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.27 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 115.201 Ave N Shift Values>> N :: 115.7(5.05) T52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.17 CA :: 61.67 CB :: 69.11 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.126 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 116.575 Ave N Shift Values>> N :: 115.7(5.05) A53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.76 M 0.21 C 0.01 C Shift Assignments>> C :: 177.65 CA :: 52.26 CB :: 18.31 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.281 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.681 Ave N Shift Values>> N :: 123.23(3.7) T54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 176.32 CA :: 61.84 CB :: 69.13 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.106 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 114.661 Ave N Shift Values>> N :: 115.7(5.05) V55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.32 P 0.25 C 0.14 W 0.07 I 0.07 R 0.03 E 0.02 K 0.02 M 0.01 H 0.01 C Shift Assignments>> C :: 175.67 CA :: 61.93 CB :: 31.85 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.111 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 123.737 Ave N Shift Values>> N :: 121.02(4.96) V56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.31 P 0.25 C 0.14 W 0.07 I 0.07 R 0.03 E 0.02 K 0.02 H 0.01 M 0.01 HN Overlap>> V57 A154 C Shift Assignments>> C :: 175.82 CA :: 61.94 CB :: 31.71 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.26 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 125.7 Ave N Shift Values>> N :: 121.02(4.96) V57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.31 P 0.24 C 0.14 W 0.08 I 0.07 R 0.03 E 0.03 K 0.02 H 0.01 M 0.01 HN Overlap>> V56 A154 C Shift Assignments>> C :: 175.9 CA :: 61.89 CB :: 31.71 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.183 HA :: 4.079 HB :: 2.002 HG2 :: 0.902 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 125.7 Ave N Shift Values>> N :: 121.02(4.96) K58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.16 C 0.14 R 0.13 K 0.12 H 0.12 W 0.11 E 0.09 Q 0.07 V 0.01 C Shift Assignments>> C :: 176.07 CA :: 56.01 CB :: 31.59 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.538 HA :: 4.366 HB2 :: 1.731 HB3 :: 1.731 HG2 :: 1.434 HG3 :: 1.434 HD2 :: 1.621 HD3 :: 1.621 HE2 :: 2.952 HE3 :: 2.952 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 127.319 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) T59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.31 CA :: 60.6 CB :: 70.14 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.545 HA :: 4.637 HB :: 4.385 HG2 :: 1.321 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 113.631 Ave N Shift Values>> N :: 115.7(5.05) L60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.26 Y 0.24 C 0.17 I 0.08 L 0.07 D 0.06 K 0.05 N 0.01 HN Overlap>> D129 C Shift Assignments>> C :: 177.89 CA :: 58.0 CB :: 40.15 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.805 HA :: 4.058 HB2 :: 1.845 HB3 :: 1.845 HG :: 1.484 HD1 :: 0.953 HD2 :: 0.953 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.628 Ave N Shift Values>> N :: 121.98(4.07) D61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.44 D 0.24 C 0.13 Y 0.05 L 0.05 F 0.05 HN Overlap>> S36 C Shift Assignments>> C :: 179.43 CA :: 52.26 CB :: 39.43 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.255 HA :: 4.474 HB2 :: 2.573 HB3 :: 2.722 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 116.133 Ave N Shift Values>> N :: 120.73(4.2) V62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.94 C 0.05 HN Overlap>> K168 C Shift Assignments>> CA :: 65.87 CB :: 30.79 CG1 :: 20.854 CG2 :: 20.854 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.53 HA :: 3.756 HB :: 2.079 HG1 :: 0.968 HG2 :: 1.054 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 122.56 Ave N Shift Values>> N :: 121.02(4.96) L63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.24 Y 0.2 C 0.16 K 0.11 L 0.09 D 0.07 I 0.06 R 0.01 HN Overlap>> Q8 C Shift Assignments>> C :: 178.78 CA :: 57.91 CB :: 40.62 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.378 HA :: 4.168 HB2 :: 2.076 HB3 :: 1.547 HG :: 1.969 HD1 :: 1.036 HD2 :: 0.956 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.873 Ave N Shift Values>> N :: 121.98(4.07) R64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.25 C 0.15 W 0.15 E 0.08 R 0.06 V 0.06 K 0.06 H 0.05 Q 0.04 P 0.03 M 0.01 C Shift Assignments>> C :: 178.48 CA :: 60.9 CB :: 29.35 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.851 HA :: 3.793 HB2 :: 2.143 HB3 :: 2.031 HG2 :: 1.88 HG3 :: 1.88 HD2 :: 3.389 HD3 :: 3.216 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 115.888 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) G65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.73 C 0.19 L 0.03 A 0.01 C Shift Assignments>> C :: 177.04 CA :: 47.11 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.869 HA2 :: 4.027 HA3 :: 3.867 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.291 Ave N Shift Values>> N :: 109.91(4.29) E66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.13 C 0.13 I 0.13 K 0.12 E 0.11 R 0.1 Q 0.1 H 0.08 L 0.02 M 0.01 V 0.01 C Shift Assignments>> C :: 179.08 CA :: 59.07 CB :: 28.52 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.327 HA :: 4.151 HB2 :: 2.225 HB3 :: 2.094 HG2 :: 2.48 HG3 :: 2.336 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 124.522 Ave N Shift Values>> N :: 120.68(3.68) L67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.24 Y 0.21 C 0.16 K 0.09 L 0.09 D 0.07 I 0.07 R 0.01 N 0.01 HN Overlap>> K104 E112 V142 E161 C Shift Assignments>> C :: 180.35 CA :: 57.84 CB :: 40.46 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.666 HA :: 4.171 HB2 :: 2.07 HG :: 1.968 HD1 :: 0.892 HD2 :: 0.795 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.665 Ave N Shift Values>> N :: 121.98(4.07) R68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.17 W 0.16 C 0.15 E 0.11 R 0.08 K 0.07 H 0.07 Q 0.07 V 0.04 M 0.01 P 0.01 C Shift Assignments>> C :: 178.62 CA :: 60.17 CB :: 29.48 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.769 HA :: 3.844 HB2 :: 1.988 HG2 :: 1.86 HG3 :: 1.708 HD2 :: 3.314 HD3 :: 3.224 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 119.126 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) G69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.73 C 0.19 L 0.03 A 0.01 C Shift Assignments>> C :: 177.22 CA :: 47.13 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.173 HA2 :: 4.073 HA3 :: 3.882 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.076 Ave N Shift Values>> N :: 109.91(4.29) Q70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.16 C 0.12 K 0.12 Q 0.11 W 0.1 I 0.1 H 0.08 E 0.08 L 0.07 HN Overlap>> H280 C Shift Assignments>> C :: 179.65 CA :: 58.38 CB :: 27.75 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.034 HA :: 4.278 HB2 :: 2.076 HB3 :: 1.814 HG2 :: 2.24 HG3 :: 2.24 HE21 :: 7.584 HE22 :: 6.725 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 122.413 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) R71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.16 I 0.14 C 0.14 E 0.12 R 0.09 K 0.08 H 0.08 Q 0.07 V 0.04 M 0.02 HN Overlap>> L201 M269 C Shift Assignments>> C :: 178.4 CA :: 59.92 CB :: 29.5 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.234 HA :: 3.934 HB2 :: 1.703 HB3 :: 1.59 HG2 :: 1.396 HG3 :: 1.396 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 119.224 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) E72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.29 C 0.14 W 0.11 R 0.1 K 0.07 E 0.06 P 0.05 Q 0.05 H 0.04 L 0.01 V 0.01 C Shift Assignments>> C :: 178.87 CA :: 60.47 CB :: 27.92 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.119 HA :: 3.89 HB2 :: 2.237 HB3 :: 2.04 HG2 :: 2.84 HG3 :: 2.84 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.518 Ave N Shift Values>> N :: 120.68(3.68) A73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.68 A 0.24 I 0.04 C 0.02 C Shift Assignments>> C :: 180.45 CA :: 55.18 CB :: 16.82 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.044 HA :: 4.236 HB :: 1.587 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.639 Ave N Shift Values>> N :: 123.23(3.7) F74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.27 Y 0.22 C 0.22 F 0.17 E 0.07 C Shift Assignments>> C :: 177.08 CA :: 59.95 CB :: 38.02 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.633 HA :: 4.505 HB2 :: 3.229 HB3 :: 3.229 HD1 :: 7.146 HE1 :: 7.057 HZ :: 8.011 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 120.549 Ave N Shift Values>> N :: 120.69(4.18) L75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.23 Y 0.21 C 0.16 L 0.1 K 0.09 D 0.09 I 0.05 N 0.01 R 0.01 HN Overlap>> H243 C Shift Assignments>> C :: 179.13 CA :: 57.46 CB :: 40.44 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.63 HA :: 3.572 HB2 :: 2.307 HB3 :: 2.307 HG :: 2.01 HD1 :: 0.981 HD2 :: 0.812 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.979 Ave N Shift Values>> N :: 121.98(4.07) S76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> G6 C Shift Assignments>> C :: 175.73 CA :: 62.46 CB :: 61.05 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.265 HA :: 4.123 HB2 :: 3.929 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 109.265 Ave N Shift Values>> N :: 116.3(3.95) E77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.13 C 0.12 K 0.12 W 0.12 I 0.12 Q 0.11 E 0.09 H 0.08 L 0.03 M 0.01 C Shift Assignments>> C :: 179.01 CA :: 58.86 CB :: 28.18 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.474 HA :: 4.022 HB2 :: 2.251 HB3 :: 2.147 HG2 :: 2.414 HG3 :: 2.283 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.235 Ave N Shift Values>> N :: 120.68(3.68) I78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.7 C 0.29 HN Overlap>> V238 C Shift Assignments>> C :: 177.04 CA :: 63.69 CB :: 35.46 CG2 :: 18.015 CD1 :: 11.707 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.222 HA :: 3.639 HB :: 1.854 HG2 :: 0.368 HG12 :: 0.595 HG13 :: 1.767 HD1 :: 0.239 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 119.96 Ave N Shift Values>> N :: 121.6(4.72) I79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.91 C 0.08 C Shift Assignments>> C :: 176.75 CA :: 65.29 CB :: 37.62 CG2 :: 17.44 CD1 :: 14.374 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.88 HA :: 3.369 HB :: 1.767 HG2 :: 0.929 HG12 :: 0.929 HD1 :: 1.037 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 116.329 Ave N Shift Values>> N :: 121.6(4.72) K80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.15 C 0.15 K 0.14 R 0.12 W 0.11 H 0.1 E 0.09 Q 0.05 V 0.02 C Shift Assignments>> C :: 176.09 CA :: 56.88 CB :: 31.91 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.18 HA :: 4.187 HB2 :: 1.91 HB3 :: 1.838 HG2 :: 1.547 HG3 :: 1.547 HD2 :: 1.774 HD3 :: 1.67 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 115.446 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) S81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 56.58 CB :: 64.54 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.849 HA :: 4.633 HB2 :: 3.907 HB3 :: 3.907 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.152 Ave N Shift Values>> N :: 116.3(3.95) D82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.18 N 0.11 K 0.11 C 0.11 F 0.07 Y 0.06 R 0.02 C Shift Assignments>> C :: 176.56 CA :: 53.95 CB :: 41.14 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.322 HA :: 5.058 HB2 :: 2.902 HB3 :: 2.45 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 121.235 Ave N Shift Values>> N :: 120.73(4.2) G83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.29 K 0.2 R 0.13 D 0.11 F 0.08 C 0.07 Y 0.05 I 0.02 N 0.01 HN Overlap>> G156 C Shift Assignments>> CA :: 42.21 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.24 HA3 :: 3.307 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.755 Ave N Shift Values>> N :: 109.91(4.29) P84 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable C Shift Assignments>> C :: 181.89 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) F85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> D 0.18 F 0.17 Y 0.16 C 0.14 L 0.13 K 0.08 N 0.06 I 0.02 R 0.01 C Shift Assignments>> C :: 175.05 CA :: 56.06 CB :: 40.4 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.859 HA :: 5.136 HB2 :: 3.002 HB3 :: 2.122 HD1 :: 6.937 HE1 :: 7.078 HZ :: 7.133 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) T86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 176.54 CA :: 59.93 CB :: 70.84 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 9.042 HA :: 4.973 HB :: 4.595 HG2 :: 1.378 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 112.552 Ave N Shift Values>> N :: 115.7(5.05) I87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 I 0.43 C Shift Assignments>> C :: 175.71 CA :: 59.52 CB :: 35.69 CG2 :: 17.98 CD1 :: 13.819 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.468 HA :: 3.881 HB :: 1.82 HG2 :: 1.068 HG12 :: 1.656 HG13 :: 1.343 HD1 :: 0.692 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 119.175 Ave N Shift Values>> N :: 121.6(4.72) L88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.25 C 0.24 F 0.19 E 0.08 I 0.07 N 0.05 D 0.05 L 0.02 M 0.01 C Shift Assignments>> C :: 181.53 CA :: 56.9 CB :: 38.34 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.109 HA :: 4.243 HB2 :: 1.815 HB3 :: 1.776 HG :: 1.608 HD1 :: 0.956 HD2 :: 0.956 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.782 Ave N Shift Values>> N :: 121.98(4.07) Q89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.15 C 0.13 E 0.12 I 0.12 K 0.11 Q 0.09 H 0.09 R 0.09 V 0.02 M 0.02 HN Overlap>> K109 A133 K245 C Shift Assignments>> C :: 177.46 CA :: 59.34 CB :: 29.17 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.844 HA :: 4.281 HB2 :: 2.455 HB3 :: 2.455 HG2 :: 2.675 HG3 :: 2.657 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 121.873 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) L90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 I 0.27 L 0.18 K 0.13 R 0.01 HN Overlap>> L190 C Shift Assignments>> C :: 178.06 CA :: 58.25 CB :: 39.98 CD1 :: 25.866 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.065 HA :: 3.879 HB2 :: 1.827 HB3 :: 1.827 HD1 :: 0.7 HD2 :: 0.814 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.371 Ave N Shift Values>> N :: 121.98(4.07) V91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.33 V 0.31 I 0.24 C 0.07 W 0.02 HN Overlap>> R95 L166 C Shift Assignments>> C :: 177.38 CA :: 65.03 CB :: 30.23 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.764 HA :: 3.549 HB :: 1.946 HG1 :: 0.879 HG2 :: 0.625 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 117.654 Ave N Shift Values>> N :: 121.02(4.96) G92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.71 C 0.2 L 0.03 A 0.01 P 0.01 C Shift Assignments>> C :: 174.52 CA :: 47.22 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.797 HA2 :: 3.378 HA3 :: 3.495 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.265 Ave N Shift Values>> N :: 109.91(4.29) Y93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.56 C 0.19 V 0.08 Y 0.07 F 0.05 E 0.02 HN Overlap>> Q196 E215 A233 L262 C Shift Assignments>> C :: 175.99 CA :: 63.35 CB :: 36.84 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.168 HA :: 3.91 HB2 :: 2.837 HB3 :: 3.081 HD1 :: 6.723 HE1 :: 6.571 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 121.432 Ave N Shift Values>> N :: 120.79(4.69) L94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 L 0.4 A 0.01 K 0.01 I 0.01 HN Overlap>> K115 C Shift Assignments>> C :: 177.49 CA :: 57.69 CB :: 40.37 CD1 :: 25.601 CD2 :: 22.14 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.756 HA :: 3.721 HD1 :: 0.114 HD2 :: 0.624 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.45 Ave N Shift Values>> N :: 121.98(4.07) R95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.16 C 0.14 E 0.13 R 0.1 H 0.09 I 0.09 Q 0.09 K 0.08 V 0.03 M 0.03 HN Overlap>> V91 L166 C Shift Assignments>> C :: 179.96 CA :: 59.27 CB :: 29.72 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.728 HA :: 4.064 HD2 :: 3.064 HD3 :: 3.064 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 117.556 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) V96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.42 V 0.33 P 0.15 C 0.06 W 0.01 HN Overlap>> V150 A284 C Shift Assignments>> C :: 177.79 CA :: 66.52 CB :: 29.6 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.039 HA :: 3.381 HB :: 2.302 HG1 :: 1.041 HG2 :: 0.881 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 121.922 Ave N Shift Values>> N :: 121.02(4.96) V97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.91 C 0.08 C Shift Assignments>> C :: 179.09 CA :: 65.28 CB :: 30.75 CG1 :: 20.924 CG2 :: 22.057 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.628 HA :: 3.692 HB :: 2.01 HG1 :: 0.687 HG2 :: 0.718 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 115.888 Ave N Shift Values>> N :: 121.02(4.96) D98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.28 L 0.25 K 0.11 C 0.11 D 0.07 F 0.07 Y 0.05 G 0.03 C Shift Assignments>> C :: 178.16 CA :: 56.37 CB :: 43.08 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 9.021 HA :: 4.664 HB2 :: 2.953 HB3 :: 2.807 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.058 Ave N Shift Values>> N :: 120.73(4.2) T99 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.6 CA :: 60.68 CB :: 69.13 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.612 HA :: 5.098 HB :: 4.825 HG2 :: 5.176(M) Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 103.966 Ave N Shift Values>> N :: 115.7(5.05) SRO Rule Breaks>> (HA > HG2 : 1.0000) (HB > HG2 : 0.9995) D100 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.14 H 0.13 W 0.13 C 0.13 E 0.12 M 0.1 Q 0.09 K 0.09 V 0.01 I 0.01 C Shift Assignments>> C :: 178.36 CA :: 56.77 CB :: 30.94(S) Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.037 HA :: 4.808 HB2 :: 3.203 HB3 :: 2.406 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 121.235 Ave N Shift Values>> N :: 120.73(4.2) L101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.31 C 0.29 K 0.21 L 0.12 R 0.05 C Shift Assignments>> C :: 181.89 CA :: 59.61 CB :: 40.77 CD1 :: 25.91 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.851 HA :: 3.945 HB2 :: 1.559 HB3 :: 1.497 HG :: 0.977 HD1 :: 0.648 HD2 :: 0.441 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.137 Ave N Shift Values>> N :: 121.98(4.07) L102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.24 Y 0.17 D 0.17 I 0.12 N 0.11 C 0.09 L 0.05 K 0.01 C Shift Assignments>> C :: 176.15 CB :: 40.01 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.45 HA :: 4.358 HB2 :: 1.805 HB3 :: 1.964 HD1 :: 0.995 HD2 :: 1.032 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 109.804 Ave N Shift Values>> N :: 121.98(4.07) L103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 R 0.27 C 0.11 D 0.07 G 0.07 K 0.06 F 0.04 Y 0.03 HN Overlap>> V110 C Shift Assignments>> C :: 175.51 CA :: 55.43 CB :: 43.54 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.885 HA :: 4.478 HB2 :: 1.596 HB3 :: 1.39 HG :: 1.268 HD1 :: 0.856 HD2 :: 0.856 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.764 Ave N Shift Values>> N :: 121.98(4.07) K104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.18 H 0.16 R 0.13 C 0.13 W 0.12 E 0.11 L 0.06 M 0.03 I 0.02 K 0.01 HN Overlap>> L67 E112 V142 E161 C Shift Assignments>> C :: 176.61 CA :: 55.91 CB :: 28.66 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.764 HA :: 4.304 HB2 :: 1.957 HG2 :: 1.381 HG3 :: 1.381 HD2 :: 1.737 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 119.665 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) V105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.28 P 0.18 C 0.15 W 0.09 I 0.07 R 0.04 E 0.04 K 0.03 H 0.02 M 0.02 Q 0.01 C Shift Assignments>> C :: 175.59 CA :: 61.49 CB :: 31.67 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.684 HA :: 4.017 HB :: 2.166 HG1 :: 1.023 HG2 :: 0.863 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 121.334 Ave N Shift Values>> N :: 121.02(4.96) D106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.21 K 0.18 D 0.18 C 0.1 F 0.09 Y 0.08 R 0.07 N 0.03 C Shift Assignments>> C :: 177.96 CA :: 55.42 CB :: 41.59 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.759 HA :: 4.314 HB2 :: 2.815 HB3 :: 2.481 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 121.432 Ave N Shift Values>> N :: 120.73(4.2) S107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 61.52 CB :: 62.28 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.661 HA :: 4.588 HB2 :: 4.536 HB3 :: 4.536 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 124.424 Ave N Shift Values>> N :: 116.3(3.95) T108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 177.12 CA :: 65.84 CB :: 67.41 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.342 HA :: 4.35 HB :: 4.229 HG2 :: 1.302 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 119.567 Ave N Shift Values>> N :: 115.7(5.05) K109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.19 K 0.13 W 0.12 V 0.11 M 0.1 R 0.1 E 0.08 H 0.06 Q 0.05 I 0.02 HN Overlap>> Q89 A133 C Shift Assignments>> C :: 178.98 CA :: 59.09 CB :: 32.27 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.746 HA :: 3.966 HB2 :: 1.977 HB3 :: 1.977 HG2 :: 1.661 HG3 :: 1.661 HD2 :: 1.892 HD3 :: 1.892 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 121.922 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) V110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.63 V 0.18 P 0.1 C 0.06 HN Overlap>> L103 C Shift Assignments>> C :: 180.21 CA :: 67.54 CB :: 28.63 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.854 HA :: 3.56 HB :: 2.15 HG1 :: 0.933 HG2 :: 0.83 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 119.764 Ave N Shift Values>> N :: 121.02(4.96) D111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.22 Y 0.2 C 0.16 L 0.11 K 0.1 D 0.1 I 0.05 N 0.01 R 0.01 C Shift Assignments>> C :: 178.92 CA :: 57.31 CB :: 40.49 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.342 HA :: 4.518 HB2 :: 2.903 HB3 :: 2.82 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 123.59 Ave N Shift Values>> N :: 120.73(4.2) E112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.17 C 0.13 W 0.13 R 0.11 K 0.11 E 0.09 Q 0.09 H 0.07 L 0.02 M 0.01 V 0.01 HN Overlap>> L67 K104 V142 E161 C Shift Assignments>> C :: 180.0 CA :: 59.45 CB :: 28.24 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.666 HA :: 4.13 HB2 :: 2.028 HB3 :: 1.963 HG2 :: 2.1 HG3 :: 2.039 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.665 Ave N Shift Values>> N :: 120.68(3.68) A113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.5 A 0.42 C 0.03 I 0.02 HN Overlap>> D23 E41 C Shift Assignments>> C :: 178.82 CA :: 54.85 CB :: 18.42 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.461 HA :: 3.79 HB :: 1.44 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.745 Ave N Shift Values>> N :: 123.23(3.7) G114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 C 0.14 L 0.04 HN Overlap>> G128 C Shift Assignments>> C :: 175.54 CA :: 46.68 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.024 HA2 :: 4.136 HA3 :: 3.059 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.076 Ave N Shift Values>> N :: 109.91(4.29) K115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.17 W 0.14 V 0.12 R 0.11 E 0.1 K 0.08 H 0.07 M 0.07 I 0.04 Q 0.04 P 0.01 HN Overlap>> L94 C Shift Assignments>> C :: 180.47 CA :: 59.62 CB :: 31.47 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.731 HA :: 3.981 HB2 :: 1.939 HB3 :: 1.893 HG2 :: 1.46 HG3 :: 1.46 HD2 :: 1.69 HD3 :: 1.69 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 120.45 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) K116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.14 W 0.14 E 0.13 C 0.13 H 0.12 Q 0.09 M 0.09 K 0.08 V 0.02 I 0.01 C Shift Assignments>> CA :: 57.36 CB :: 30.87 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.109 HA :: 4.205 HB2 :: 1.993 HB3 :: 1.931 HG2 :: 1.667 HG3 :: 1.667 HD2 :: 1.835 HD3 :: 1.835 HE2 :: 3.304 HE3 :: 3.16 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 117.801 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) V117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.95 C 0.04 C Shift Assignments>> C :: 177.25 CA :: 66.61 CB :: 30.39 CG1 :: 21.52 CG2 :: 21.48 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.89 HA :: 3.282 HB :: 1.555 HG1 :: 0.588 HG2 :: 0.071 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120.892 Ave N Shift Values>> N :: 121.02(4.96) K118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.18 W 0.13 V 0.13 K 0.11 R 0.1 E 0.09 M 0.08 H 0.06 Q 0.03 I 0.03 P 0.01 HN Overlap>> E199 C Shift Assignments>> C :: 178.09 CA :: 59.42 CB :: 31.99 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.527 HA :: 3.725 HB2 :: 2.004 HB3 :: 1.806 HG2 :: 1.299 HG3 :: 1.004 HD2 :: 1.537 HD3 :: 1.451 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 120.107 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) A119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.6 A 0.33 I 0.03 C 0.02 HN Overlap>> I145 E176 C Shift Assignments>> C :: 180.54 CA :: 54.69 CB :: 17.0 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.669 HA :: 4.222 HB :: 1.587 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.175 Ave N Shift Values>> N :: 123.23(3.7) Y120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.4 C 0.2 Y 0.17 F 0.14 E 0.05 V 0.01 C Shift Assignments>> C :: 176.41 CA :: 61.15 CB :: 37.78 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 7.88 HA :: 4.529 HB2 :: 3.491 HB3 :: 3.19 HD1 :: 7.314 HE1 :: 7.065 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 120.107 Ave N Shift Values>> N :: 120.79(4.69) L121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.26 F 0.22 C 0.22 I 0.08 D 0.06 E 0.04 N 0.03 L 0.03 HN Overlap>> S153 C Shift Assignments>> C :: 178.68 CA :: 57.28 CB :: 38.83 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.342 HA :: 3.872 HB2 :: 2.072 HB3 :: 2.072 HG :: 1.93 HD1 :: 0.768 HD2 :: 0.944 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 117.85 Ave N Shift Values>> N :: 121.98(4.07) E122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.14 W 0.13 C 0.13 K 0.12 R 0.11 Q 0.1 E 0.1 H 0.08 L 0.02 M 0.01 HN Overlap>> N5 C Shift Assignments>> C :: 180.14 CA :: 59.17 CB :: 28.36 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.461 HA :: 3.913 HB2 :: 2.189 HB3 :: 2.047 HG2 :: 2.393 HG3 :: 2.287 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 118.635 Ave N Shift Values>> N :: 120.68(3.68) K123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.16 C 0.15 E 0.13 R 0.12 H 0.09 V 0.07 K 0.06 Q 0.06 M 0.06 I 0.05 C Shift Assignments>> C :: 179.1 CA :: 59.14 CB :: 30.91 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.772 HA :: 4.028 HB2 :: 2.051 HB3 :: 2.051 HG2 :: 1.584 HG3 :: 1.456 HD2 :: 1.752 HD3 :: 1.752 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 121.383 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) I124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.87 I 0.11 C Shift Assignments>> C :: 175.75 CA :: 62.24 CB :: 36.67 CG2 :: 13.728 CD1 :: 17.03 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.489 HA :: 4.297 HB :: 1.371 HG2 :: 0.772 HG12 :: 1.249 HG13 :: 0.932 HD1 :: 0.598 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 110.099 Ave N Shift Values>> N :: 121.6(4.72) G125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.69 L 0.12 C 0.08 R 0.06 F 0.01 C Shift Assignments>> C :: 176.48 CA :: 45.05 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.468 HA2 :: 3.641 HA3 :: 4.443 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.763 Ave N Shift Values>> N :: 109.91(4.29) I126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.82 I 0.14 A 0.03 C Shift Assignments>> C :: 174.63 CA :: 58.46 CB :: 35.12 CG2 :: 18.437 CD1 :: 10.705 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.389 HA :: 4.219 HB :: 1.921 HG2 :: 1.035 HG12 :: 1.465 HG13 :: 1.382 HD1 :: 0.818 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 123.983 Ave N Shift Values>> N :: 121.6(4.72) R127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.16 C 0.14 R 0.14 M 0.13 W 0.11 Q 0.1 E 0.09 K 0.08 C Shift Assignments>> C :: 175.86 CA :: 54.67 CB :: 30.89 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.425 HA :: 4.52 HB2 :: 1.817 HB3 :: 1.683 HG2 :: 1.603 HG3 :: 1.603 HD2 :: 3.168 HD3 :: 3.168 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 126.485 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) G128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.53 L 0.18 R 0.13 C 0.1 F 0.01 D 0.01 Y 0.01 HN Overlap>> G114 C Shift Assignments>> C :: 173.2 CA :: 44.66 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.024 HA2 :: 3.94 HA3 :: 3.875 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.978 Ave N Shift Values>> N :: 109.91(4.29) D129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.19 Y 0.18 F 0.17 C 0.17 N 0.1 L 0.1 K 0.02 I 0.02 HN Overlap>> L60 C Shift Assignments>> C :: 174.97 CA :: 55.8 CB :: 39.76 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.82 HA :: 4.573 HB2 :: 2.81 HB3 :: 2.618 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 121.726 Ave N Shift Values>> N :: 120.73(4.2) S130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.97 T 0.02 C Shift Assignments>> C :: 174.84 CA :: 55.36 CB :: 65.76 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.571 HA :: 4.742 HB2 :: 4.334 HB3 :: 3.943 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 110.687 Ave N Shift Values>> N :: 116.3(3.95) V131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.78 I 0.12 C 0.08 C Shift Assignments>> C :: 175.82 CA :: 65.79 CB :: 30.15 CG1 :: 20.6 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.484 HA :: 3.772 HG1 :: 1.122 HG2 :: 1.007 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 123.247 Ave N Shift Values>> N :: 121.02(4.96) E132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.36 C 0.13 P 0.11 R 0.1 W 0.08 K 0.04 Q 0.04 E 0.03 H 0.03 L 0.02 C Shift Assignments>> C :: 177.99 CA :: 60.83 CB :: 27.41 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.139 HA :: 3.822 HB2 :: 2.019 HB3 :: 1.962 HG2 :: 2.41 HG3 :: 2.125 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 122.364 Ave N Shift Values>> N :: 120.68(3.68) A133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.48 A 0.46 C 0.02 I 0.02 HN Overlap>> Q89 K109 K245 C Shift Assignments>> C :: 180.23 CA :: 54.44 CB :: 17.91 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.844 HA :: 4.234 HB :: 1.509 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.873 Ave N Shift Values>> N :: 123.23(3.7) A134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.53 A 0.4 I 0.02 C 0.02 HN Overlap>> V16 E267 C Shift Assignments>> C :: 179.09 CA :: 54.59 CB :: 17.53 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.09 HA :: 4.219 HB :: 1.309 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.549 Ave N Shift Values>> N :: 123.23(3.7) L135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.21 F 0.18 Y 0.14 L 0.14 C 0.13 D 0.07 R 0.07 I 0.03 C Shift Assignments>> C :: 181.89 CA :: 57.65 CB :: 41.42 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.368 HA :: 3.845 HB2 :: 2.005 HB3 :: 1.672 HG :: 0.994 HD1 :: 0.765 HD2 :: 0.825 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.488 Ave N Shift Values>> N :: 121.98(4.07) D136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.25 F 0.25 C 0.19 D 0.08 I 0.07 L 0.06 N 0.03 K 0.01 E 0.01 C Shift Assignments>> C :: 178.1 CA :: 57.36 CB :: 39.54 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.152 HA :: 4.327 HB2 :: 2.779 HB3 :: 2.668 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.303 Ave N Shift Values>> N :: 120.73(4.2) N137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 E 0.18 Y 0.17 N 0.11 F 0.1 M 0.04 D 0.03 I 0.03 K 0.01 C Shift Assignments>> CA :: 55.84 CB :: 37.33 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.018 HA :: 4.504 HB2 :: 3.076 HB3 :: 2.845 HD21 :: 7.436 HD22 :: 6.928 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 117.311 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) L138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.26 Y 0.23 C 0.17 I 0.09 K 0.08 L 0.07 D 0.05 R 0.01 HN Overlap>> S18 K203 C Shift Assignments>> C :: 177.74 CA :: 58.38 CB :: 40.44 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.347 HA :: 4.058 HB2 :: 2.334 HB3 :: 1.58 HG :: 1.58 HD1 :: 0.828 HD2 :: 1.027 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.009 Ave N Shift Values>> N :: 121.98(4.07) M139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.24 R 0.21 C 0.12 Q 0.11 K 0.08 H 0.08 W 0.06 E 0.04 I 0.02 C Shift Assignments>> C :: 180.27 CA :: 55.96 CB :: 26.81 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.414 HA :: 4.582 HB2 :: 2.133 HB3 :: 1.755 HG2 :: 2.755 HG3 :: 2.354 HE :: 1.923 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 115.054 Ave N Shift Values>> N :: 120.1(3.88) I140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.92 C 0.07 C Shift Assignments>> C :: 179.1 CA :: 65.34 CB :: 37.79 CG2 :: 17.011 CD1 :: 13.931 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.548 HA :: 4.193 HB :: 1.975 HG2 :: 1.011 HG12 :: 1.901 HG13 :: 1.138 HD1 :: 0.886 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 123.394 Ave N Shift Values>> N :: 121.6(4.72) K141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.19 V 0.14 W 0.12 K 0.11 R 0.09 M 0.09 E 0.08 H 0.06 Q 0.03 I 0.02 P 0.01 C Shift Assignments>> C :: 180.15 CA :: 59.43 CB :: 32.16 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.602 HA :: 4.246 HB2 :: 2.189 HB3 :: 1.968 HG2 :: 1.664 HG3 :: 1.664 HD2 :: 1.799 HD3 :: 1.799 HE2 :: 3.112 HE3 :: 2.993 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 119.028 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) V142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.41 P 0.38 C 0.18 HN Overlap>> L67 K104 E112 E161 C Shift Assignments>> C :: 178.19 CA :: 66.52 CB :: 31.34 CG1 :: 24.874 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.733 HA :: 3.708 HB :: 2.323 HG1 :: 1.323 HG2 :: 1.024 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 119.616 Ave N Shift Values>> N :: 121.02(4.96) Y143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.51 C 0.18 Y 0.13 F 0.11 E 0.02 V 0.01 C Shift Assignments>> C :: 177.93 CA :: 62.2 CB :: 37.7 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 9.062 HA :: 4.156 HB2 :: 3.336 HB3 :: 3.296 HD1 :: 7.075 HE1 :: 6.792 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 124.719 Ave N Shift Values>> N :: 120.79(4.69) E144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.14 C 0.13 K 0.12 I 0.12 E 0.11 Q 0.1 R 0.09 H 0.09 L 0.01 M 0.01 V 0.01 C Shift Assignments>> C :: 179.66 CA :: 59.09 CB :: 28.69 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.476 HA :: 3.979 HB2 :: 2.296 HB3 :: 2.093 HG2 :: 2.793 HG3 :: 2.419 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 117.605 Ave N Shift Values>> N :: 120.68(3.68) I145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.81 C 0.18 HN Overlap>> A119 E176 C Shift Assignments>> C :: 178.4 CA :: 63.56 CB :: 37.01 CG2 :: 18.205 CD1 :: 14.365 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.767 HA :: 3.992 HB :: 2.106 HG2 :: 1.074 HG12 :: 1.757 HG13 :: 1.37 HD1 :: 0.932 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 119.126 Ave N Shift Values>> N :: 121.6(4.72) T146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.89 CA :: 65.08 CB :: 68.37 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.106 HA :: 4.314 HB :: 3.997 HG2 :: 1.274 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 115.888 Ave N Shift Values>> N :: 115.7(5.05) K147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.14 R 0.14 C 0.13 M 0.13 W 0.11 E 0.1 K 0.09 Q 0.09 HN Overlap>> L167 M270 C Shift Assignments>> C :: 177.43 CA :: 55.47 CB :: 31.06 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.972 HA :: 4.242 HB2 :: 1.778 HB3 :: 1.527 HG2 :: 1.066 HG3 :: 1.066 HD2 :: 1.462 HD3 :: 1.462 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 119.126 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) G148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.08 L 0.07 R 0.02 C Shift Assignments>> C :: 174.57 CA :: 45.62 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.803 HA2 :: 4.076 HA3 :: 4.022 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.529 Ave N Shift Values>> N :: 109.91(4.29) T149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.78 CA :: 61.32 CB :: 68.92 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.106 HA :: 4.417 HB :: 4.3 HG2 :: 1.195 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 113.386 Ave N Shift Values>> N :: 115.7(5.05) V150 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.74 C 0.25 HN Overlap>> V96 A284 C Shift Assignments>> C :: 176.3 CA :: 62.34 CB :: 31.73 CG1 :: 20.854 CG2 :: 20.854 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.07 HA :: 4.12 HB :: 2.085 HG1 :: 0.964 HG2 :: 0.964 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 121.922 Ave N Shift Values>> N :: 121.02(4.96) E151 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.15 K 0.15 H 0.14 W 0.12 E 0.12 C 0.11 R 0.09 M 0.03 L 0.02 I 0.02 C Shift Assignments>> C :: 176.88 CA :: 56.55 CB :: 29.01 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.558 HA :: 4.341 HB2 :: 2.089 HB3 :: 1.985 HG2 :: 2.3 HG3 :: 2.3 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 124.621 Ave N Shift Values>> N :: 120.68(3.68) S152 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> N35 C Shift Assignments>> C :: 175.14 CA :: 58.74 CB :: 63.02 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.409 HA :: 4.442 HB2 :: 3.962 HB3 :: 3.885 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 117.36 Ave N Shift Values>> N :: 116.3(3.95) S153 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> L121 C Shift Assignments>> C :: 174.67 CA :: 58.59 CB :: 63.1 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.378 HA :: 4.467 HB2 :: 3.972 HB3 :: 3.888 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 117.85 Ave N Shift Values>> N :: 116.3(3.95) A154 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.73 M 0.24 C 0.01 HN Overlap>> V56 V57 C Shift Assignments>> C :: 177.79 CA :: 52.53 CB :: 18.12 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.214 HA :: 4.369 HB :: 1.431 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.651 Ave N Shift Values>> N :: 123.23(3.7) Q155 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.15 K 0.15 H 0.13 R 0.12 C 0.11 W 0.1 E 0.09 L 0.07 M 0.02 I 0.01 HN Overlap>> N14 N22 V259 C Shift Assignments>> C :: 176.67 CA :: 55.82 CB :: 28.44 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.214 HB2 :: 2.032 HB3 :: 2.032 HG2 :: 2.401 HG3 :: 2.168 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 118.782 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) G156 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.73 L 0.1 C 0.08 R 0.04 HN Overlap>> G83 C Shift Assignments>> C :: 174.42 CA :: 45.17 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.301 HA2 :: 4.071 HA3 :: 4.071 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.706 Ave N Shift Values>> N :: 109.91(4.29) T157 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.65 CA :: 61.57 CB :: 69.06 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.121 HA :: 4.394 HB :: 4.306 HG2 :: 1.19 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 112.65 Ave N Shift Values>> N :: 115.7(5.05) D158 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.27 L 0.19 K 0.12 C 0.11 N 0.09 F 0.08 Y 0.07 R 0.03 HN Overlap>> A13 C Shift Assignments>> C :: 175.97 CA :: 54.38 CB :: 41.15 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.168 HA :: 4.723 HB2 :: 2.568 HB3 :: 2.568 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 123.345 Ave N Shift Values>> N :: 120.73(4.2) S159 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> F204 C Shift Assignments>> C :: 174.55 CA :: 57.45 CB :: 63.83 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.522 HA :: 4.457 HB2 :: 4.345 HB3 :: 4.095 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 117.311 Ave N Shift Values>> N :: 116.3(3.95) E160 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.15 C 0.13 W 0.13 R 0.12 K 0.12 Q 0.1 E 0.09 H 0.08 L 0.03 M 0.01 C Shift Assignments>> C :: 176.29 CA :: 59.19 CB :: 28.23 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.918 HA :: 4.027 HB2 :: 2.074 HB3 :: 2.074 HG2 :: 2.36 HG3 :: 2.36 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 122.903 Ave N Shift Values>> N :: 120.68(3.68) E161 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.18 C 0.13 W 0.12 R 0.12 K 0.1 E 0.09 Q 0.08 H 0.07 L 0.02 P 0.01 V 0.01 HN Overlap>> L67 K104 E112 V142 C Shift Assignments>> C :: 178.98 CA :: 59.59 CB :: 28.18 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.666 HA :: 4.024 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.665 Ave N Shift Values>> N :: 120.68(3.68) L162 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.26 F 0.25 C 0.19 D 0.08 I 0.07 L 0.05 N 0.03 E 0.01 K 0.01 HN Overlap>> A205 H280 C Shift Assignments>> C :: 178.24 CA :: 57.38 CB :: 39.46 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.946 HA :: 4.221 HB2 :: 1.932 HB3 :: 1.932 HD1 :: 1.578 HD2 :: 1.488 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 122.266 Ave N Shift Values>> N :: 121.98(4.07) K163 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.16 V 0.16 W 0.15 I 0.1 R 0.09 E 0.09 P 0.06 H 0.05 K 0.04 Q 0.03 M 0.03 HN Overlap>> E264 C Shift Assignments>> C :: 178.91 CA :: 60.62 CB :: 30.91 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.45 HA :: 3.81 HB2 :: 1.921 HB3 :: 1.921 HG2 :: 1.6 HG3 :: 1.469 HD2 :: 1.711 HD3 :: 1.711 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 119.126 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) T164 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> G278 C Shift Assignments>> C :: 176.52 CA :: 66.47 CB :: 68.23 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.003 HA :: 3.87 HB :: 4.238 HG2 :: 1.251 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 114.023 Ave N Shift Values>> N :: 115.7(5.05) L165 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.22 Y 0.19 C 0.15 K 0.11 L 0.11 D 0.09 I 0.05 R 0.01 N 0.01 C Shift Assignments>> C :: 177.61 CA :: 57.45 CB :: 40.59 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.525 HA :: 3.872 HB2 :: 1.579 HB3 :: 1.356 HD1 :: 0.781 HD2 :: 0.94 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 124.817 Ave N Shift Values>> N :: 121.98(4.07) L166 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.23 Y 0.2 C 0.15 K 0.13 L 0.1 D 0.06 I 0.06 R 0.02 HN Overlap>> V91 R95 C Shift Assignments>> C :: 178.21 CA :: 57.92 CB :: 40.74 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.728 HA :: 3.877 HB2 :: 1.34 HB3 :: 1.276 HD1 :: 0.877 HD2 :: 0.929 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 117.556 Ave N Shift Values>> N :: 121.98(4.07) L167 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.25 Y 0.22 C 0.16 K 0.09 L 0.09 I 0.07 D 0.06 R 0.01 N 0.01 HN Overlap>> K147 C Shift Assignments>> C :: 179.43 CA :: 57.95 CB :: 40.46 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.921 HA :: 4.132 HB2 :: 1.822 HB3 :: 1.758 HG :: 1.758 HD1 :: 0.875 HD2 :: 0.953 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.175 Ave N Shift Values>> N :: 121.98(4.07) K168 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.17 E 0.15 C 0.14 R 0.13 H 0.1 Q 0.09 I 0.06 K 0.04 M 0.04 V 0.04 HN Overlap>> V62 C Shift Assignments>> C :: 178.77 CA :: 58.87 CB :: 30.2 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.545 HA :: 4.212 HB2 :: 2.164 HB3 :: 2.164 HG2 :: 1.587 HG3 :: 1.587 HD2 :: 1.936 HD3 :: 1.936 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 122.462 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) F169 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 E 0.26 Y 0.14 F 0.07 M 0.07 N 0.04 I 0.04 K 0.03 D 0.01 C Shift Assignments>> C :: 178.66 CA :: 56.62 CB :: 36.69 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 9.129 HA :: 4.816 HB2 :: 3.742 HB3 :: 3.071 HD1 :: 7.425 HE1 :: 7.579 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 118.586 Ave N Shift Values>> N :: 120.69(4.18) S170 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 61.68 CB :: 62.25 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.548 HA :: 4.216 HB2 :: 4.119 HB3 :: 4.119 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 113.484 Ave N Shift Values>> N :: 116.3(3.95) E171 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.14 I 0.13 C 0.13 K 0.12 E 0.11 Q 0.1 R 0.1 H 0.08 L 0.01 M 0.01 V 0.01 HN Overlap>> Q31 Q46 A260 C Shift Assignments>> C :: 179.83 CA :: 59.2 CB :: 28.62 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.383 HA :: 4.112 HB2 :: 2.38 HB3 :: 2.24 HG2 :: 2.545 HG3 :: 2.38 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.726 Ave N Shift Values>> N :: 120.68(3.68) D172 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.24 Y 0.24 C 0.18 D 0.1 L 0.07 I 0.06 N 0.03 K 0.03 E 0.01 C Shift Assignments>> C :: 179.92 CA :: 57.14 CB :: 39.77 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 9.103 HA :: 4.576 HB2 :: 3.165 HB3 :: 2.639 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 122.56 Ave N Shift Values>> N :: 120.73(4.2) L173 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.3 C 0.29 L 0.24 I 0.12 R 0.02 C Shift Assignments>> C :: 179.11 CA :: 58.02 CB :: 40.64 CD2 :: 24.937 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.358 HA :: 4.223 HB2 :: 1.947 HB3 :: 1.868 HD1 :: 1.35 HD2 :: 1.102 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 122.315 Ave N Shift Values>> N :: 121.98(4.07) K174 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.16 W 0.15 R 0.12 E 0.11 V 0.09 H 0.08 K 0.08 M 0.07 Q 0.05 I 0.04 P 0.01 HN Overlap>> M230 L265 C Shift Assignments>> CA :: 59.31 CB :: 31.25 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.101 HA :: 4.078 HB2 :: 1.977 HB3 :: 1.977 HG2 :: 1.673 HG3 :: 1.503 HD2 :: 1.872 HD3 :: 1.872 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 120.058 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) A175 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.58 A 0.35 I 0.03 C 0.02 HN Overlap>> Q26 E50 C Shift Assignments>> C :: 180.45 CA :: 54.61 CB :: 17.1 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.26 HA :: 4.17 HB :: 1.582 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.647 Ave N Shift Values>> N :: 123.23(3.7) E176 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.16 K 0.13 Q 0.12 C 0.12 W 0.1 H 0.09 E 0.08 I 0.08 L 0.06 M 0.01 HN Overlap>> A119 I145 C Shift Assignments>> C :: 178.29 CA :: 58.13 CB :: 27.86 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.741 HA :: 4.16 HB2 :: 2.28 HB3 :: 2.108 HG2 :: 2.43 HG3 :: 2.43 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.126 Ave N Shift Values>> N :: 120.68(3.68) Q177 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.2 I 0.17 C 0.15 L 0.1 Q 0.08 W 0.08 K 0.07 H 0.05 E 0.04 HN Overlap>> K184 C Shift Assignments>> C :: 179.7 CA :: 58.89 CB :: 26.76 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.952 HA :: 4.053 HB2 :: 2.3 HB3 :: 2.3 HG2 :: 2.73 HG3 :: 2.578 HE21 :: 7.555 HE22 :: 6.856 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 117.605 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) E178 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.13 W 0.13 C 0.12 Q 0.12 R 0.12 E 0.11 H 0.09 I 0.09 L 0.03 M 0.01 C Shift Assignments>> C :: 178.52 CA :: 58.44 CB :: 28.44 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.245 HA :: 4.098 HB2 :: 2.109 HB3 :: 2.109 HG2 :: 2.475 HG3 :: 2.293 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.665 Ave N Shift Values>> N :: 120.68(3.68) L179 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.19 Y 0.17 C 0.14 K 0.13 L 0.13 D 0.12 I 0.03 R 0.02 N 0.02 C Shift Assignments>> C :: 178.4 CA :: 56.97 CB :: 40.75 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.751 HA :: 4.059 HB2 :: 1.626 HB3 :: 1.395 HG :: 1.494 HD1 :: 0.82 HD2 :: 0.82 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.813 Ave N Shift Values>> N :: 121.98(4.07) H180 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.15 K 0.15 R 0.13 H 0.13 C 0.11 W 0.09 E 0.08 L 0.08 M 0.02 I 0.02 C Shift Assignments>> C :: 175.19 CA :: 55.86 CB :: 28.28 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 7.689 HA :: 4.659 HB2 :: 3.345 HB3 :: 3.288 HD2 :: 7.184 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 115.299 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) S181 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.82 CA :: 59.34 CB :: 63.49 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.782 HA :: 4.319 HB2 :: 4.08 HB3 :: 3.987 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 114.171 Ave N Shift Values>> N :: 116.3(3.95) E182 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.14 Q 0.13 W 0.12 C 0.11 E 0.11 R 0.11 H 0.11 I 0.06 L 0.03 M 0.01 HN Overlap>> L200 Y220 D281 C Shift Assignments>> C :: 177.72 CA :: 57.9 CB :: 28.58 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.548 HA :: 4.121 HB2 :: 2.1 HB3 :: 2.1 HG2 :: 2.33 HG3 :: 2.294 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 122.168 Ave N Shift Values>> N :: 120.68(3.68) A183 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.63 M 0.33 C 0.01 HN Overlap>> H280 C Shift Assignments>> C :: 178.51 CA :: 53.29 CB :: 17.91 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.085 HA :: 4.241 HB :: 1.453 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.217 Ave N Shift Values>> N :: 123.23(3.7) K184 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.14 R 0.14 C 0.13 H 0.13 W 0.11 K 0.1 E 0.1 Q 0.08 V 0.01 HN Overlap>> Q177 C Shift Assignments>> CA :: 55.79 CB :: 31.28 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.859 HA :: 4.371 HB2 :: 1.961 HB3 :: 1.743 HG2 :: 1.344 HG3 :: 1.344 HD2 :: 1.64 HD3 :: 1.64 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 117.654 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) G185 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 L 0.08 C 0.08 R 0.02 C Shift Assignments>> C :: 175.63 CA :: 45.46 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.096 HA2 :: 4.192 HA3 :: 3.958 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.136 Ave N Shift Values>> N :: 109.91(4.29) G186 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.1 L 0.06 R 0.01 C Shift Assignments>> C :: 175.02 CA :: 45.96 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.363 HA2 :: 3.956 HA3 :: 3.897 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.363 Ave N Shift Values>> N :: 109.91(4.29) E187 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.13 W 0.13 C 0.12 Q 0.12 R 0.11 E 0.11 I 0.09 H 0.09 L 0.03 M 0.01 C Shift Assignments>> C :: 177.94 CA :: 58.55 CB :: 28.44 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.671 HA :: 4.1 HB2 :: 2.088 HB3 :: 2.088 HG2 :: 2.356 HG3 :: 2.298 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 122.511 Ave N Shift Values>> N :: 120.68(3.68) A188 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.49 A 0.46 C 0.02 I 0.01 HN Overlap>> L4 K37 C Shift Assignments>> C :: 179.87 CA :: 54.01 CB :: 17.26 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.24 HA :: 4.241 HB :: 1.463 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.756 Ave N Shift Values>> N :: 123.23(3.7) L189 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.21 Y 0.19 C 0.15 L 0.12 K 0.11 D 0.11 I 0.04 N 0.02 R 0.01 C Shift Assignments>> C :: 178.87 CA :: 57.13 CB :: 40.57 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.813 HA :: 4.218 HB2 :: 1.737 HB3 :: 1.673 HG :: 1.606 HD1 :: 0.897 HD2 :: 0.897 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.99 Ave N Shift Values>> N :: 121.98(4.07) L190 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.25 Y 0.24 C 0.18 D 0.08 L 0.07 I 0.07 K 0.04 N 0.02 HN Overlap>> L90 C Shift Assignments>> C :: 180.12 CA :: 57.51 CB :: 39.94 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.967 HA :: 4.101 HB2 :: 1.794 HB3 :: 1.722 HG :: 1.601 HD1 :: 0.89 HD2 :: 0.89 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.371 Ave N Shift Values>> N :: 121.98(4.07) S191 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.05 CA :: 61.06 CB :: 62.46 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.245 HA :: 4.284 HB2 :: 4.012 HB3 :: 4.012 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.054 Ave N Shift Values>> N :: 116.3(3.95) S192 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.96 CA :: 61.21 CB :: 62.14 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.096 HA :: 4.355 HB2 :: 4.082 HB3 :: 4.082 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 118.586 Ave N Shift Values>> N :: 116.3(3.95) M193 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.17 K 0.13 W 0.12 R 0.11 M 0.11 E 0.09 H 0.08 V 0.07 Q 0.04 I 0.01 C Shift Assignments>> C :: 177.93 CA :: 58.49 CB :: 32.08 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.245 HA :: 4.297 HB2 :: 2.167 HB3 :: 2.167 HG2 :: 2.706 HG3 :: 2.463 HE :: 1.967 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 121.971 Ave N Shift Values>> N :: 120.1(3.88) K194 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.69 S 0.3 C Shift Assignments>> C :: 175.33 CA :: 59.38 CB :: 54.73(M) Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.859 HA :: 4.115 HB2 :: 2.017 HB3 :: 2.017 HG2 :: 1.486 HG3 :: 1.486 HD2 :: 1.55 HD3 :: 1.55 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 121.137 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) T195 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> S36 T208 S249 C Shift Assignments>> C :: 176.51 CA :: 66.43 CB :: 68.05 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.157 HA :: 4.322 HB :: 4.089 HG2 :: 1.324 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 116.231 Ave N Shift Values>> N :: 115.7(5.05) Q196 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.16 I 0.15 C 0.13 W 0.1 K 0.1 Q 0.1 E 0.07 H 0.07 L 0.06 HN Overlap>> Y93 E215 A233 L262 C Shift Assignments>> C :: 178.58 CA :: 59.0 CB :: 27.62 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.234 HA :: 4.193 HB2 :: 2.251 HB3 :: 2.186 HG2 :: 2.563 HG3 :: 2.443 HE21 :: 7.747 HE22 :: 6.982 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 121.432 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) H197 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.15 C 0.13 K 0.12 E 0.12 I 0.11 Q 0.1 H 0.09 R 0.08 M 0.01 V 0.01 L 0.01 HN Overlap>> Q45 C Shift Assignments>> C :: 176.28 CA :: 59.05 CB :: 28.88 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.502 HA :: 4.009 HB2 :: 3.609 HB3 :: 3.239 HD2 :: 6.845 HE2 :: 7.916 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 120.549 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) D198 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.27 F 0.24 C 0.2 I 0.09 D 0.06 L 0.04 E 0.03 N 0.02 HN Overlap>> C282 C Shift Assignments>> C :: 179.62 CA :: 57.52 CB :: 39.18 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.558 HA :: 4.342 HB2 :: 2.959 HB3 :: 2.717 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 119.715 Ave N Shift Values>> N :: 120.73(4.2) E199 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.14 C 0.13 K 0.13 E 0.12 Q 0.11 I 0.1 H 0.1 R 0.09 M 0.01 L 0.01 V 0.01 HN Overlap>> K118 C Shift Assignments>> CA :: 58.84 CB :: 28.85 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.543 HA :: 4.113 HB2 :: 2.208 HB3 :: 2.082 HG2 :: 2.422 HG3 :: 2.422 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.058 Ave N Shift Values>> N :: 120.68(3.68) L200 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.85 K 0.13 HN Overlap>> E182 Y220 D281 C Shift Assignments>> C :: 179.6 CB :: 40.74 CD1 :: 25.716 CD2 :: 25.716 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.445 HA :: 4.187 HB2 :: 2.054 HB3 :: 1.75 HG :: 1.95 HD1 :: 1.057 HD2 :: 1.057 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 122.168 Ave N Shift Values>> N :: 121.98(4.07) L201 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.27 Y 0.23 C 0.17 I 0.1 K 0.07 L 0.06 D 0.04 R 0.01 HN Overlap>> R71 M269 C Shift Assignments>> C :: 180.74 CA :: 58.6 CB :: 40.39 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.219 HA :: 4.099 HB2 :: 2.039 HB3 :: 1.81 HG :: 1.519 HD1 :: 0.844 HD2 :: 0.91 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.224 Ave N Shift Values>> N :: 121.98(4.07) K202 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.16 W 0.15 R 0.12 E 0.11 V 0.09 H 0.08 K 0.07 M 0.06 Q 0.05 I 0.05 P 0.01 C Shift Assignments>> C :: 179.68 CA :: 59.43 CB :: 31.12 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.443 HA :: 4.069 HB2 :: 2.038 HB3 :: 1.961 HG2 :: 1.527 HG3 :: 1.445 HD2 :: 1.695 HD3 :: 1.695 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 119.028 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) K203 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.19 V 0.17 W 0.13 R 0.09 K 0.09 E 0.08 M 0.07 H 0.05 I 0.04 P 0.03 Q 0.02 HN Overlap>> S18 L138 C Shift Assignments>> C :: 180.69 CA :: 59.94 CB :: 31.93 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.296 HA :: 4.052 HB2 :: 1.946 HB3 :: 1.856 HG2 :: 1.587 HG3 :: 1.451 HD2 :: 1.767 HD3 :: 1.767 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 120.107 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) F204 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.55 C 0.17 Y 0.12 F 0.1 E 0.01 V 0.01 HN Overlap>> S159 C Shift Assignments>> C :: 179.41 CA :: 62.49 CB :: 37.87 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.605 HA :: 4.222 HB2 :: 3.172 HB3 :: 2.997 HD1 :: 7.659 HE1 :: 7.166 HZ :: 6.89 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 117.36 Ave N Shift Values>> N :: 120.69(4.18) A205 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.53 A 0.42 C 0.01 I 0.01 HN Overlap>> L162 H280 C Shift Assignments>> C :: 177.95 CA :: 54.01 CB :: 16.92 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.946 HA :: 4.41 HB :: 1.575 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.266 Ave N Shift Values>> N :: 123.23(3.7) A206 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.79 M 0.18 C 0.01 C Shift Assignments>> C :: 177.76 CA :: 51.81 CB :: 18.08 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.134 HA :: 4.357 HB :: 1.484 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 118.096 Ave N Shift Values>> N :: 123.23(3.7) L207 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.21 K 0.18 D 0.18 C 0.1 F 0.09 R 0.08 Y 0.07 N 0.03 C Shift Assignments>> C :: 175.33 CA :: 55.32 CB :: 41.66 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.175 HA :: 4.239 HB2 :: 1.911 HB3 :: 1.852 HG :: 1.653 HD1 :: 1.025 HD2 :: 0.837 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.813 Ave N Shift Values>> N :: 121.98(4.07) T208 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> S36 T195 S249 C Shift Assignments>> CA :: 58.19 CB :: 70.68 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.142 HA :: 4.532 HB :: 4.03 HG2 :: 1.193 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 116.231 Ave N Shift Values>> N :: 115.7(5.05) P209 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.47 P 0.27 C 0.14 I 0.02 W 0.02 K 0.01 C Shift Assignments>> C :: 175.74 CA :: 62.91 CB :: 33.53 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.897 HB2 :: 2.484 HB3 :: 2.159 HG2 :: 1.993 HG3 :: 1.84 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) T210 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.21 CA :: 64.24 CB :: 69.02 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.394 HA :: 4.039 HB :: 3.954 HG2 :: 1.178 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 115.79 Ave N Shift Values>> N :: 115.7(5.05) F211 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.24 F 0.23 C 0.19 D 0.1 L 0.06 I 0.05 N 0.04 E 0.01 K 0.01 C Shift Assignments>> C :: 173.16 CA :: 56.89 CB :: 39.49 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.97 HA :: 5.101 HB2 :: 3.593 HB3 :: 2.98 HD1 :: 7.346 HE1 :: 7.172 HZ :: 7.031 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 127.27 Ave N Shift Values>> N :: 120.69(4.18) L212 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.62 C 0.17 G 0.09 A 0.09 K 0.01 C Shift Assignments>> C :: 177.1 CA :: 52.7 CB :: 42.98 CD1 :: 25.609 CD2 :: 22.902 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 6.492 HA :: 4.641 HB2 :: 1.168 HB3 :: 1.014 HG :: 0.567 HD1 :: 0.104 HD2 :: 0.302 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 116.673 Ave N Shift Values>> N :: 121.98(4.07) T213 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.37 CA :: 60.59 CB :: 71.03 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 9.545 HA :: 4.728 HB :: 4.432 HG2 :: 1.309 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 115.446 Ave N Shift Values>> N :: 115.7(5.05) S214 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.51 CA :: 61.76 CB :: 63.4 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.97 HA :: 4.098 HB2 :: 3.955 HB3 :: 3.955 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 116.378 Ave N Shift Values>> N :: 116.3(3.95) E215 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.15 C 0.13 W 0.12 R 0.12 K 0.11 Q 0.1 E 0.09 H 0.08 L 0.03 M 0.01 HN Overlap>> Y93 Q196 A233 L262 C Shift Assignments>> C :: 179.54 CA :: 59.2 CB :: 28.17 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.204 HA :: 4.014 HB2 :: 1.997 HB3 :: 1.889 HG2 :: 2.26 HG3 :: 2.26 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.383 Ave N Shift Values>> N :: 120.68(3.68) D216 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.19 Y 0.16 K 0.14 C 0.14 L 0.13 D 0.11 I 0.03 R 0.02 N 0.01 C Shift Assignments>> C :: 178.03 CA :: 57.06 CB :: 40.82 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.756 HA :: 4.321 HB2 :: 2.88 HB3 :: 2.39 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 122.217 Ave N Shift Values>> N :: 120.73(4.2) I217 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.88 C 0.11 C Shift Assignments>> C :: 177.46 CA :: 65.4 CB :: 36.39 CG2 :: 17.682 CD1 :: 14.603 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.957 HA :: 3.298 HB :: 1.759 HG2 :: 0.686 HG12 :: 0.337 HG13 :: 1.25 HD1 :: 0.235 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 120.99 Ave N Shift Values>> N :: 121.6(4.72) S218 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.24 T 0.21 V 0.19 P 0.08 C 0.05 F 0.05 Y 0.04 S 0.03 W 0.03 E 0.01 R 0.01 C Shift Assignments>> C :: 176.9 CA :: 61.68 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.281 HA :: 4.171 HB2 :: 3.985 HB3 :: 3.941 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 113.876 Ave N Shift Values>> N :: 116.3(3.95) G219 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.77 C 0.16 L 0.04 C Shift Assignments>> CA :: 46.88 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.162 HA2 :: 3.838 HA3 :: 3.757 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.412 Ave N Shift Values>> N :: 109.91(4.29) Y220 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.46 C 0.19 Y 0.15 F 0.13 E 0.03 V 0.01 HN Overlap>> E182 L200 D281 C Shift Assignments>> C :: 175.96 CA :: 61.66 CB :: 37.85 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.461 HA :: 4.444 HB2 :: 3.163 HB3 :: 3.007 HD1 :: 7.024 HE1 :: 6.726 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 122.217 Ave N Shift Values>> N :: 120.79(4.69) L221 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.74 L 0.22 K 0.02 C Shift Assignments>> C :: 175.53 CA :: 53.32 CB :: 39.04 CD1 :: 26.12 CD2 :: 26.904 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.715 HA :: 3.978 HB2 :: 1.9 HB3 :: 1.658 HG :: 1.601 HD1 :: 0.559 HD2 :: 0.806 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 114.71 Ave N Shift Values>> N :: 121.98(4.07) T222 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.23 T 0.21 I 0.17 P 0.14 S 0.09 C 0.03 F 0.02 Y 0.02 W 0.01 C Shift Assignments>> CA :: 62.48 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.381 HA :: 4.377 HB :: 4.172 HG2 :: 1.188 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 116.673 Ave N Shift Values>> N :: 115.7(5.05) V223 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 8.173 HA :: 4.173 HB :: 1.845 HG1 :: 0.548 HG2 :: 0.548 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 124.277 Ave N Shift Values>> N :: 121.02(4.96) P224 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable C Shift Assignments>> C :: 181.89 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) E225 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> Q 0.16 H 0.15 K 0.15 C 0.12 R 0.1 W 0.1 E 0.09 L 0.05 M 0.03 I 0.01 C Shift Assignments>> C :: 176.63 CA :: 55.08 CB :: 28.76 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) Y226 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.27 Y 0.22 C 0.22 F 0.17 E 0.07 C Shift Assignments>> C :: 176.4 CA :: 59.92 CB :: 37.93 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 7.777 HA :: 4.366 HB2 :: 2.861 HB3 :: 2.504 HD1 :: 6.886 HE1 :: 6.444 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 123.836 Ave N Shift Values>> N :: 120.79(4.69) G227 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.3 L 0.24 R 0.24 C 0.1 F 0.02 D 0.02 Y 0.01 K 0.01 C Shift Assignments>> C :: 171.66 CA :: 44.17 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.733 HA2 :: 3.352 HA3 :: 4.222 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.816 Ave N Shift Values>> N :: 109.91(4.29) A228 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.85 M 0.1 G 0.02 C 0.01 C Shift Assignments>> C :: 181.89 CA :: 49.48 CB :: 17.32 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.324 HA :: 3.274 HB :: 1.084 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.628 Ave N Shift Values>> N :: 123.23(3.7) P229 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> I 0.3 P 0.26 V 0.19 C 0.11 W 0.06 R 0.01 E 0.01 C Shift Assignments>> C :: 176.77 CA :: 63.24 CB :: 29.89 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HB2 :: 2.196 HB3 :: 1.969 HG2 :: 2.079 HG3 :: 2.061 HD2 :: 3.525 HD3 :: 3.446 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) M230 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.12 D 0.1 M 0.09 H 0.09 Q 0.07 C 0.07 R 0.06 K 0.06 N 0.05 W 0.04 A 0.04 E 0.04 Y 0.04 F 0.03 S 0.01 HN Overlap>> K174 L265 C Shift Assignments>> CA :: 55.2 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.168 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 120.058 Ave N Shift Values>> N :: 120.1(3.88) N231 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> N 0.49 C 0.19 D 0.1 Y 0.07 F 0.05 E 0.03 M 0.01 L 0.01 C Shift Assignments>> C :: 175.04 CA :: 52.97 CB :: 37.96 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> HA :: 4.706 HB2 :: 2.862 HB3 :: 2.775 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) A232 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.29 N 0.24 D 0.12 C 0.05 L 0.05 M 0.04 H 0.03 R 0.02 P 0.02 Q 0.02 K 0.01 W 0.01 Y 0.01 F 0.01 C Shift Assignments>> C :: 176.9 CA :: 52.3 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.409 HB :: 1.386 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.19 Ave N Shift Values>> N :: 123.23(3.7) A233 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.62 M 0.35 C 0.01 HN Overlap>> Y93 Q196 E215 L262 C Shift Assignments>> C :: 178.79 CA :: 52.83 CB :: 17.16 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.126 HB :: 1.288 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.432 Ave N Shift Values>> N :: 123.23(3.7) K234 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 7.972 HA :: 4.007 HB2 :: 1.884 HB3 :: 1.884 HG2 :: 1.593 HG3 :: 1.5 HD2 :: 1.739 HD3 :: 1.739 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 119.862 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) W235 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> HD1 :: 7.407 HE3 :: 7.333 HZ2 :: 7.556 HZ3 :: 7.11 HH2 :: 7.18 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) K236 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent C Shift Assignments>> C :: 180.09 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 6.882 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 122.609 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) K237 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.15 C 0.15 R 0.13 E 0.13 H 0.09 K 0.07 Q 0.07 M 0.07 V 0.05 I 0.03 C Shift Assignments>> C :: 179.64 CA :: 58.75 CB :: 30.94 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.767 HA :: 4.047 HB2 :: 1.975 HB3 :: 1.866 HG2 :: 1.274 HG3 :: 1.274 HD2 :: 1.481 HD3 :: 1.481 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 120.794 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) V238 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.89 C 0.08 I 0.02 HN Overlap>> I78 C Shift Assignments>> C :: 177.9 CA :: 65.43 CB :: 30.76 CG1 :: 21.552 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.222 HA :: 3.813 HB :: 2.255 HG1 :: 1.274 HG2 :: 0.903 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 119.96 Ave N Shift Values>> N :: 121.02(4.96) E239 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.18 W 0.16 C 0.15 E 0.1 R 0.08 K 0.07 H 0.07 Q 0.06 V 0.05 M 0.01 P 0.01 C Shift Assignments>> C :: 178.6 CA :: 60.31 CB :: 29.4 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.743 HA :: 3.842 HB2 :: 2.393 HB3 :: 2.253 HG2 :: 2.429 HG3 :: 2.429 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 122.756 Ave N Shift Values>> N :: 120.68(3.68) G240 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.76 C 0.16 L 0.04 C Shift Assignments>> C :: 176.85 CA :: 46.89 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.977 HA2 :: 3.992 HA3 :: 3.809 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 104.064 Ave N Shift Values>> N :: 109.91(4.29) M241 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.18 K 0.14 W 0.12 M 0.1 R 0.1 V 0.09 E 0.08 H 0.07 Q 0.05 I 0.01 C Shift Assignments>> C :: 179.67 CA :: 58.77 CB :: 32.29 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 7.767 HA :: 4.242 HB2 :: 2.344 HB3 :: 2.156 HG2 :: 2.733 HG3 :: 2.526 HE :: 1.988 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 123.639 Ave N Shift Values>> N :: 120.1(3.88) I242 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.91 C 0.08 C Shift Assignments>> C :: 176.88 CA :: 66.34 CB :: 36.92 CG2 :: 19.099 CD1 :: 13.226 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.548 HA :: 3.582 HB :: 2.032 HG2 :: 0.947 HG12 :: 1.867 HG13 :: 0.662 HD1 :: 0.305 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 120.892 Ave N Shift Values>> N :: 121.6(4.72) H243 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.16 C 0.15 I 0.14 E 0.11 R 0.09 H 0.07 V 0.07 Q 0.06 K 0.06 M 0.02 P 0.01 HN Overlap>> L75 C Shift Assignments>> C :: 177.06 CA :: 60.16 CB :: 29.94 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.538 HA :: 4.017 HB2 :: 3.231 HB3 :: 3.061 HD2 :: 6.985 HE2 :: 7.676 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 119.028 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) G244 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 C 0.14 L 0.04 C Shift Assignments>> C :: 176.77 CA :: 46.66 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.219 HA2 :: 3.916 HA3 :: 3.717 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 103.083 Ave N Shift Values>> N :: 109.91(4.29) K245 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.14 C 0.14 W 0.13 E 0.12 H 0.11 M 0.1 K 0.1 Q 0.07 V 0.03 I 0.01 HN Overlap>> Q89 A133 C Shift Assignments>> C :: 179.31 CA :: 57.58 CB :: 31.25 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.808 HA :: 4.117 HB2 :: 1.861 HB3 :: 1.861 HD2 :: 1.364 HD3 :: 1.126 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 121.824 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) L246 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 L 0.25 K 0.06 A 0.05 I 0.02 C Shift Assignments>> C :: 178.48 CA :: 56.59 CB :: 40.18 CD1 :: 22.11 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.142 HA :: 4.105 HB2 :: 1.998 HB3 :: 1.863 HG :: 1.57 HD1 :: 0.808 HD2 :: 0.933 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 116.869 Ave N Shift Values>> N :: 121.98(4.07) E247 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.15 K 0.15 H 0.13 W 0.11 E 0.11 C 0.11 R 0.1 L 0.03 M 0.02 I 0.02 C Shift Assignments>> C :: 177.23 CA :: 56.44 CB :: 28.82 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.545 HA :: 4.201 HB2 :: 1.897 HB3 :: 1.748 HG2 :: 2.048 HG3 :: 1.997 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 116.084 Ave N Shift Values>> N :: 120.68(3.68) S248 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.13 CA :: 58.49 CB :: 63.57 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.458 HA :: 4.522 HB2 :: 4.055 HB3 :: 3.965 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 113.729 Ave N Shift Values>> N :: 116.3(3.95) S249 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> T195 T208 C Shift Assignments>> C :: 173.9 CA :: 58.55 CB :: 63.5 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.178 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 116.329 Ave N Shift Values>> N :: 116.3(3.95) E250 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.15 K 0.15 H 0.14 R 0.12 C 0.11 W 0.09 E 0.08 L 0.07 M 0.02 I 0.01 HN Overlap>> V16 E267 C Shift Assignments>> C :: 175.51 CA :: 55.49 CB :: 28.45 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.209 HA :: 4.412 HB2 :: 2.033 HB3 :: 1.889 HG2 :: 2.173 HG3 :: 2.173 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.45 Ave N Shift Values>> N :: 120.68(3.68) V251 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.18 V 0.13 W 0.13 K 0.1 R 0.1 E 0.09 M 0.08 H 0.06 Q 0.03 I 0.03 P 0.01 C Shift Assignments>> CA :: 59.49 CB :: 31.94 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.993 HA :: 4.353 HB :: 1.988 HG1 :: 0.929 HG2 :: 0.888 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 124.768 Ave N Shift Values>> N :: 121.02(4.96) P252 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.34 P 0.34 C 0.11 I 0.07 W 0.05 R 0.02 E 0.01 K 0.01 C Shift Assignments>> C :: 177.68 CA :: 62.56 CB :: 31.8 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.529 HB2 :: 2.495 HB3 :: 2.153 HG2 :: 2.122 HG3 :: 2.122 HD2 :: 3.559 HD3 :: 3.559 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) A253 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.66 A 0.24 I 0.06 C 0.02 C Shift Assignments>> C :: 180.24 CA :: 55.51 CB :: 17.28 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.872 HB :: 1.539 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.111 Ave N Shift Values>> N :: 123.23(3.7) N254 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 E 0.21 M 0.16 K 0.1 Q 0.09 Y 0.05 N 0.02 F 0.01 W 0.01 H 0.01 I 0.01 C Shift Assignments>> C :: 177.07 CA :: 55.71 CB :: 35.39 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.928 HA :: 4.402 HB2 :: 2.834 HB3 :: 2.834 HD21 :: 7.61 HD22 :: 6.897 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 115.397 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) L255 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 L 0.29 K 0.28 I 0.09 R 0.01 C Shift Assignments>> C :: 178.62 CA :: 57.61 CB :: 40.49 CD1 :: 24.592 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.206 HA :: 4.048 HB2 :: 2.126 HB3 :: 1.533 HG :: 1.445 HD1 :: 0.604 HD2 :: 0.798 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 122.658 Ave N Shift Values>> N :: 121.98(4.07) K256 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.24 C 0.16 P 0.14 W 0.11 I 0.09 R 0.06 E 0.05 K 0.03 H 0.03 M 0.02 Q 0.01 C Shift Assignments>> C :: 177.82 CA :: 61.25 CB :: 31.34 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.818 HA :: 3.653 HB2 :: 1.984 HB3 :: 1.918 HG2 :: 1.549 HG3 :: 1.549 HD2 :: 1.742 HD3 :: 1.742 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 118.831 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) A257 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.6 A 0.34 I 0.03 C 0.02 C Shift Assignments>> C :: 180.41 CA :: 54.69 CB :: 17.07 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.751 HA :: 4.203 HB :: 1.497 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.469 Ave N Shift Values>> N :: 123.23(3.7) L258 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 C 0.42 K 0.05 C Shift Assignments>> C :: 179.33 CA :: 57.29 CB :: 40.55 CD1 :: 25.48 CD2 :: 23.66 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.345 HA :: 4.105 HB2 :: 1.653 HB3 :: 1.543 HG :: 1.012 HD1 :: 0.325 HD2 :: 0.521 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.469 Ave N Shift Values>> N :: 121.98(4.07) V259 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.73 C 0.2 P 0.05 HN Overlap>> N14 N22 Q155 C Shift Assignments>> C :: 177.22 CA :: 66.78 CB :: 29.9 CG1 :: 24.053 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.296 HA :: 3.748 HB :: 2.359 HG1 :: 1.188 HG2 :: 1.045 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 118.831 Ave N Shift Values>> N :: 121.02(4.96) A260 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.75 A 0.17 I 0.05 C 0.02 HN Overlap>> Q46 E171 C Shift Assignments>> C :: 178.65 CA :: 55.34 CB :: 16.24 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.301 HA :: 3.93 HB :: 1.48 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.775 Ave N Shift Values>> N :: 123.23(3.7) E261 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.16 I 0.15 C 0.14 E 0.12 K 0.09 R 0.08 Q 0.08 H 0.08 V 0.03 M 0.01 C Shift Assignments>> C :: 178.85 CA :: 59.78 CB :: 29.18 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.587 HA :: 4.061 HB2 :: 2.304 HB3 :: 2.209 HG2 :: 2.599 HG3 :: 2.599 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 117.163 Ave N Shift Values>> N :: 120.68(3.68) L262 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.24 Y 0.17 C 0.16 K 0.15 I 0.12 R 0.07 L 0.05 D 0.01 HN Overlap>> Y93 Q196 E215 A233 C Shift Assignments>> C :: 177.9 CA :: 59.97 CB :: 41.58 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.152 HA :: 4.098 HB2 :: 1.853 HB3 :: 1.853 HG :: 1.056 HD1 :: 0.541 HD2 :: 0.976 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.432 Ave N Shift Values>> N :: 121.98(4.07) I263 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.73 C 0.13 F 0.04 Y 0.04 V 0.03 C Shift Assignments>> C :: 178.86 CA :: 64.87 CB :: 37.69 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.605 HA :: 4.085 HB :: 1.842 HG2 :: 0.871 HG12 :: 1.264 HG13 :: 1.039 HD1 :: 0.748 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 118.782 Ave N Shift Values>> N :: 121.6(4.72) E264 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.11 S 0.11 Y 0.1 C 0.09 I 0.09 W 0.08 T 0.07 V 0.07 E 0.05 R 0.04 K 0.03 H 0.03 Q 0.03 M 0.02 L 0.01 HN Overlap>> K163 C Shift Assignments>> CA :: 59.72 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.342 HA :: 3.81 HB2 :: 2.173 HB3 :: 2.173 HG2 :: 2.344 HG3 :: 2.241 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.126 Ave N Shift Values>> N :: 120.68(3.68) L265 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.24 Y 0.23 C 0.17 L 0.09 D 0.09 I 0.06 K 0.06 N 0.02 HN Overlap>> K174 M230 C Shift Assignments>> C :: 178.28 CA :: 57.5 CB :: 40.17 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.168 HA :: 4.261 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.058 Ave N Shift Values>> N :: 121.98(4.07) R266 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.15 T 0.11 V 0.11 F 0.09 S 0.08 C 0.08 Y 0.08 W 0.07 E 0.04 R 0.03 K 0.02 H 0.02 Q 0.01 P 0.01 M 0.01 C Shift Assignments>> CA :: 60.39 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.054 HA :: 3.654 HB2 :: 1.927 HB3 :: 1.927 HG2 :: 1.661 HG3 :: 1.524 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 120.401 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) E267 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.12 F 0.11 Y 0.1 W 0.09 C 0.09 E 0.07 R 0.06 K 0.05 Q 0.04 H 0.04 M 0.03 I 0.03 V 0.02 T 0.02 L 0.02 HN Overlap>> V16 E50 A134 E250 C Shift Assignments>> C :: 178.6 CA :: 58.63 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.193 HA :: 3.689 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.549 Ave N Shift Values>> N :: 120.68(3.68) Q268 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.12 F 0.11 Y 0.1 C 0.09 W 0.09 E 0.07 R 0.06 K 0.05 I 0.04 Q 0.04 H 0.04 M 0.03 V 0.03 T 0.03 L 0.02 C Shift Assignments>> C :: 181.89 CA :: 58.9 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.111 HA :: 3.995 HB2 :: 2.378 HB3 :: 2.135 HG2 :: 2.622 HG3 :: 2.622 HE21 :: 7.147 HE22 :: 6.793 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 119.077 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) M269 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.23 T 0.21 V 0.19 P 0.08 C 0.05 F 0.05 S 0.04 Y 0.03 W 0.03 E 0.01 R 0.01 HN Overlap>> R71 L201 C Shift Assignments>> C :: 179.24 CA :: 61.72 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.183 HA :: 3.852 HB2 :: 2.39 HB3 :: 2.227 HG2 :: 2.86 HG3 :: 2.39 HE :: 1.93 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 119.322 Ave N Shift Values>> N :: 120.1(3.88) M270 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.16 E 0.14 C 0.13 R 0.11 H 0.1 Q 0.09 K 0.08 I 0.07 M 0.03 V 0.03 HN Overlap>> K147 C Shift Assignments>> C :: 178.51 CA :: 58.86 CB :: 29.86 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.003 HA :: 4.024 HB2 :: 2.225 HB3 :: 2.084 HG2 :: 2.592 HG3 :: 2.359 HE :: 2.087 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 119.028 Ave N Shift Values>> N :: 120.1(3.88) D271 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.22 C 0.22 F 0.17 N 0.12 D 0.11 E 0.05 L 0.04 I 0.04 M 0.01 C Shift Assignments>> C :: 179.01 CA :: 56.05 CB :: 38.7 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.471 HA :: 4.085 HB2 :: 2.836 HB3 :: 2.205 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 121.432 Ave N Shift Values>> N :: 120.73(4.2) L272 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.2 Y 0.18 C 0.15 D 0.13 L 0.13 K 0.1 I 0.03 N 0.03 R 0.01 C Shift Assignments>> C :: 177.66 CA :: 56.8 CB :: 40.52 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.33 HA :: 3.814 HB2 :: 1.83 HB3 :: 1.795 HG :: 1.462 HD1 :: 0.777 HD2 :: 0.871 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.635 Ave N Shift Values>> N :: 121.98(4.07) L273 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.62 C 0.3 K 0.04 G 0.01 C Shift Assignments>> C :: 181.89 CA :: 56.11 CB :: 41.92 CD1 :: 25.039 CD2 :: 23.55 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 6.851 HA :: 4.042 HB2 :: 1.173 HB3 :: 1.173 HG :: 0.587 HD1 :: 0.591 HD2 :: 0.535 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 116.673 Ave N Shift Values>> N :: 121.98(4.07) Y274 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.22 Y 0.2 C 0.16 D 0.11 L 0.11 K 0.08 I 0.04 N 0.02 R 0.01 C Shift Assignments>> C :: 176.29 CA :: 57.06 CB :: 40.32 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 7.509 HA :: 4.847 HB2 :: 2.513 HB3 :: 1.792 HD1 :: 7.024 HE1 :: 6.725 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 112.65 Ave N Shift Values>> N :: 120.79(4.69) G275 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.42 L 0.21 R 0.18 C 0.1 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> CA :: 44.42 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.89 HA2 :: 4.315 HA3 :: 3.726 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.234 Ave N Shift Values>> N :: 109.91(4.29) P276 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.21 P 0.17 C 0.15 I 0.14 W 0.11 R 0.05 E 0.05 H 0.03 K 0.02 Q 0.01 M 0.01 C Shift Assignments>> C :: 178.0 CA :: 61.6 CB :: 30.8 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.518 HB2 :: 1.835 HB3 :: 1.835 HG2 :: 2.043 HG3 :: 2.043 HD2 :: 3.387 HD3 :: 3.233 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) I277 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.7 C 0.29 C Shift Assignments>> C :: 177.0 CA :: 61.97 CB :: 36.61 CG2 :: 17.268 CD1 :: 13.288 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.82 HA :: 3.49 HB :: 1.496 HG2 :: 0.113 HG12 :: 1.438 HG13 :: 1.438 HD1 :: 0.6 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 123.394 Ave N Shift Values>> N :: 121.6(4.72) G278 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.72 L 0.11 C 0.08 R 0.05 HN Overlap>> T164 C Shift Assignments>> C :: 173.09 CA :: 45.14 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.065 HA2 :: 4.098 HA3 :: 3.806 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 113.974 Ave N Shift Values>> N :: 109.91(4.29) H279 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.15 Q 0.15 K 0.13 W 0.12 E 0.11 R 0.11 C 0.11 M 0.04 L 0.01 I 0.01 C Shift Assignments>> CA :: 55.83 CB :: 29.43 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.049 HA :: 4.527 HB2 :: 3.118 HB3 :: 3.049 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 118.145 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) H280 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.16 Q 0.15 K 0.14 C 0.12 W 0.11 R 0.1 E 0.1 M 0.04 L 0.03 I 0.01 HN Overlap>> Q70 L162 A183 A205 C Shift Assignments>> C :: 174.04 CA :: 55.13 CB :: 29.18 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.034 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 122.315 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) D281 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.16 N 0.14 C 0.11 F 0.09 K 0.08 Y 0.07 R 0.01 HN Overlap>> E182 L200 Y220 C Shift Assignments>> C :: 176.23 CA :: 54.14 CB :: 40.75 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.517 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 122.217 Ave N Shift Values>> N :: 120.73(4.2) C282 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.22 F 0.15 C 0.14 Y 0.14 L 0.13 N 0.1 K 0.06 I 0.01 HN Overlap>> D198 C Shift Assignments>> C :: 174.46 CA :: 55.44 CB :: 40.28 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.543 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 119.715 Ave N Shift Values>> N :: 119.95(4.79) A283 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.75 M 0.22 C 0.01 C Shift Assignments>> C :: 177.41 CA :: 52.39 CB :: 18.28 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.903 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.406 Ave N Shift Values>> N :: 123.23(3.7) A284 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.74 M 0.22 C 0.01 HN Overlap>> V96 V150 C Shift Assignments>> C :: 178.33 CA :: 52.43 CB :: 18.24 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.07 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.922 Ave N Shift Values>> N :: 123.23(3.7) G285 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.69 L 0.12 C 0.08 R 0.06 F 0.01 HN Overlap>> G49 C Shift Assignments>> C :: 174.32 CA :: 45.04 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.301 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.087 Ave N Shift Values>> N :: 109.91(4.29) S286 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.26 CA :: 58.38 CB :: 63.34 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.224 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.495 Ave N Shift Values>> N :: 116.3(3.95) G287 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.75 L 0.1 C 0.08 R 0.04 C Shift Assignments>> C :: 174.32 CA :: 45.21 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.497 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.786 Ave N Shift Values>> N :: 109.91(4.29) Q288 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.15 K 0.15 H 0.13 R 0.13 C 0.11 W 0.09 E 0.08 L 0.07 M 0.02 I 0.01 C Shift Assignments>> C :: 176.63 CA :: 55.76 CB :: 28.38 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.26 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 119.862 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) G289 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.72 L 0.11 C 0.08 R 0.05 C Shift Assignments>> C :: 174.58 CA :: 45.13 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.486 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.148 Ave N Shift Values>> N :: 109.91(4.29) S290 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 58.41 CB :: 63.26 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.322 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.692 Ave N Shift Values>> N :: 116.3(3.95) S291 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> T19 C Shift Assignments>> C :: 174.22 CA :: 58.29 CB :: 63.1 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.193 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 118.243 Ave N Shift Values>> N :: 116.3(3.95) K292 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.17 C 0.15 K 0.14 R 0.13 H 0.11 W 0.1 E 0.09 Q 0.06 V 0.01 C Shift Assignments>> C :: 176.14 CA :: 55.99 CB :: 31.81 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.255 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 123.198 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) L293 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.22 L 0.2 K 0.16 C 0.11 F 0.09 Y 0.08 N 0.05 R 0.04 HN Overlap>> A34 C Shift Assignments>> CA :: 54.99 CB :: 41.33 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.255 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 123.885 Ave N Shift Values>> N :: 121.98(4.07) N294 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.16 L 0.1 N 0.09 A 0.08 M 0.08 H 0.07 C 0.06 Q 0.05 R 0.05 K 0.05 W 0.03 E 0.03 Y 0.03 F 0.02 C Shift Assignments>> CA :: 54.54 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.885 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 124.277 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) ########################################################################### Overall Results: #Consistent: 291 #Clerical: 0 #Suspicious: 0 #Anomalous: 1 #Mistyped: 2 #Indeterminable: 0 Typing Results: #Consistent: 285 #Suspicious: 0 #Mistyped: 2 #Indeterminable: 7 Shift Relative Order (SRO) Results: #Consistent: 293 #Suspicious: 1 C Shift Results: #Consistent: 845 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 1 H Shift Results: #Consistent:1242 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 1 N Shift Results: #Consistent: 278 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: T99 HG2 = 5.176(M), Expected = 1.16, Std = 0.2800, ChiSquare = 1.1809e-46 T99 SRO Rule Break>> HA > HG2 : 1 T99 SRO Rule Break>> HB > HG2 : 0.999457406402604 D100 Typing: Mistyped D100 CB = 30.94(S), Expected = 40.70, Std = 1.6700, ChiSquare = 5.0867e-09 K194 Typing: Mistyped K194 CB = 54.73(M), Expected = 32.83, Std = 1.8800, ChiSquare = 2.3234e-31