G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable S2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable S3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.57 CA :: 58.30 CB :: 63.60 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.49 HA :: 4.45 HB2 :: 3.86 HB3 :: 3.86 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 :: 118.20 Ave N Shift Values>> N :: 116.3(3.95) Q4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.29 K 0.26 C 0.26 E 0.11 R 0.05 C Shift Assignments>> C :: 174.37 CA :: 55.78 CB :: 29.40 CG :: 33.70 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 :: 8.36 HA :: 4.28 HB2 :: 1.95 HB3 :: 2.07 HG2 :: 2.31 HG3 :: 2.31 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 :: 121.76 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) Q5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.29 C 0.26 K 0.25 E 0.12 R 0.04 HN Overlap>> Q13 C Shift Assignments>> C :: 175.53 CA :: 55.60 CB :: 29.50 CG :: 33.80 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 :: 8.28 HA :: 4.30 HB2 :: 1.92 HB3 :: 2.05 HG2 :: 2.30 HG3 :: 2.30 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 :: 121.14 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) E6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 E 0.36 K 0.13 Q 0.07 I 0.02 C Shift Assignments>> C :: 175.53 CA :: 54.60 CB :: 29.50 CG :: 36.10 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 :: 8.38 HA :: 4.53 HB2 :: 1.88 HB3 :: 2.03 HG2 :: 2.27 HG3 :: 2.27 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 :: 123.77 Ave N Shift Values>> N :: 120.68(3.68) P7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.82 C 0.17 C Shift Assignments>> C :: 174.70 CA :: 63.30 CB :: 31.94 CG :: 27.40 CD :: 50.46 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 :: 4.33 HB2 :: 1.74 HB3 :: 2.21 HG2 :: 1.99 HG3 :: 1.99 HD2 :: 3.67 HD3 :: 3.79 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) Q8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.28 K 0.27 C 0.26 E 0.09 R 0.07 C Shift Assignments>> C :: 176.89 CA :: 55.90 CB :: 29.10 CG :: 33.50 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 :: 8.46 HA :: 4.19 HB2 :: 1.88 HB3 :: 1.94 HG2 :: 2.18 HG3 :: 2.24 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 :: 119.91 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) F9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.27 F 0.25 C 0.2 I 0.09 D 0.06 L 0.04 E 0.02 N 0.02 K 0.01 C Shift Assignments>> C :: 175.83 CA :: 57.70 CB :: 39.30 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 :: 8.11 HA :: 4.63 HB2 :: 3.03 HB3 :: 3.17 HD1 :: 7.21 HD2 :: 7.21 HE1 :: 7.30 HE2 :: 7.30 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 :: 120.06 Ave N Shift Values>> N :: 120.69(4.18) S10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> T11 C Shift Assignments>> C :: 175.94 CA :: 58.00 CB :: 63.50 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.21 HA :: 4.44 HB2 :: 3.85 HB3 :: 3.85 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 :: 116.60 Ave N Shift Values>> N :: 116.3(3.95) T11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.95 C 0.04 HN Overlap>> S10 C Shift Assignments>> C :: 175.09 CA :: 63.20 CB :: 69.01 CG2 :: 21.76 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 :: 8.23 HA :: 4.20 HB :: 4.23 HG2 :: 1.21 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 :: 116.54 Ave N Shift Values>> N :: 115.7(5.05) N12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.31 C 0.2 D 0.14 Y 0.13 F 0.1 E 0.04 L 0.03 I 0.01 C Shift Assignments>> C :: 175.33 CA :: 54.45 CB :: 38.40 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 :: 8.49 HA :: 4.58 HB2 :: 2.85 HB3 :: 2.85 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 :: 121.30 ND2 :: 112.80 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) Q13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 K 0.25 Q 0.24 R 0.11 E 0.07 I 0.01 HN Overlap>> Q5 C Shift Assignments>> C :: 176.36 CA :: 58.38 CB :: 28.20 CG :: 33.40 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 :: 8.36 HA :: 4.04 HB2 :: 2.06 HB3 :: 2.06 HG2 :: 2.34 HG3 :: 2.34 HE22 :: 7.54 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 :: 121.10 NE2 :: 112.30 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) K14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.5 C 0.49 C Shift Assignments>> C :: 177.95 CA :: 58.39 CB :: 32.08 CG :: 25.22 CD :: 28.75 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 :: 8.25 HA :: 4.11 HB2 :: 1.85 HB3 :: 1.85 HG2 :: 1.45 HG3 :: 1.53 HD2 :: 1.64 HD3 :: 1.64 HE2 :: 2.94 HE3 :: 2.94 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 :: 119.14 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) T15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 C 0.01 C Shift Assignments>> C :: 179.31 CA :: 65.90 CB :: 68.10 CG2 :: 21.80 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 :: 8.10 HA :: 3.83 HB :: 4.24 HG2 :: 1.18 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 :: 116.21 Ave N Shift Values>> N :: 115.7(5.05) K16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.5 C 0.49 C Shift Assignments>> C :: 175.78 CA :: 58.97 CB :: 31.80 CG :: 24.50 CD :: 28.86 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 :: 7.90 HA :: 4.03 HB2 :: 1.86 HB3 :: 1.86 HG2 :: 1.41 HG3 :: 1.41 HD2 :: 1.63 HD3 :: 1.63 HE2 :: 2.94 HE3 :: 2.94 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 :: 123.92 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) E17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.34 C 0.33 I 0.18 K 0.09 Q 0.04 C Shift Assignments>> C :: 178.25 CA :: 59.30 CB :: 29.40 CG :: 36.10 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 :: 8.04 HA :: 3.99 HB2 :: 2.04 HB3 :: 2.04 HG2 :: 2.13 HG3 :: 2.35 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 :: 118.83 Ave N Shift Values>> N :: 120.68(3.68) L18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.39 C 0.38 K 0.2 C Shift Assignments>> C :: 179.01 CA :: 57.53 CB :: 41.29 CD1 :: 23.60 CD2 :: 26.16 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 :: 7.71 HA :: 4.09 HB2 :: 1.53 HB3 :: 1.80 HG :: 1.53 HD1 :: 0.85 HD2 :: 0.71 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 :: 120.37 Ave N Shift Values>> N :: 121.98(4.07) S19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 178.05 CA :: 62.20 CB :: 63.60 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.56 HA :: 4.03 HB2 :: 3.94 HB3 :: 3.94 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 :: 114.66 Ave N Shift Values>> N :: 116.3(3.95) N20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 Y 0.2 F 0.13 N 0.13 E 0.12 D 0.06 I 0.03 L 0.01 C Shift Assignments>> C :: 176.94 CA :: 55.90 CB :: 37.88 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 :: 8.28 HA :: 4.48 HB2 :: 2.83 HB3 :: 2.96 HD21 :: 7.61 HD22 :: 6.79 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 :: 119.75 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) L21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 C 0.31 K 0.06 G 0.02 C Shift Assignments>> C :: 178.05 CA :: 58.00 CB :: 42.40 CD1 :: 25.20 CD2 :: 23.90 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 :: 7.99 HA :: 4.08 HB2 :: 1.39 HB3 :: 1.96 HG :: 1.77 HD1 :: 0.80 HD2 :: 0.81 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 :: 122.99 Ave N Shift Values>> N :: 121.98(4.07) I22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.89 C 0.1 HN Overlap>> E117 C Shift Assignments>> C :: 178.96 CA :: 65.96 CB :: 37.55 CG1 :: 31.00 CG2 :: 17.80 CD1 :: 15.00 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 :: 8.23 HA :: 3.71 HB :: 2.06 HG2 :: 0.95 HG12 :: 1.04 HG13 :: 1.81 HD1 :: 0.88 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 :: 121.30 Ave N Shift Values>> N :: 121.6(4.72) E23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.3 I 0.2 K 0.1 Q 0.04 C Shift Assignments>> C :: 177.55 CA :: 59.40 CB :: 28.90 CG :: 36.00 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 :: 8.15 HA :: 4.17 HB2 :: 2.18 HB3 :: 2.18 HG2 :: 2.32 HG3 :: 2.44 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 :: 119.75 Ave N Shift Values>> N :: 120.68(3.68) T24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 C 0.01 C Shift Assignments>> C :: 179.61 CA :: 66.80 CB :: 68.20 CG2 :: 21.50 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 :: 8.33 HA :: 4.14 HB :: 4.54 HG2 :: 1.33 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 :: 118.52 Ave N Shift Values>> N :: 115.7(5.05) F25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.27 C 0.23 F 0.21 I 0.14 E 0.07 D 0.02 L 0.01 N 0.01 C Shift Assignments>> C :: 175.99 CA :: 58.30 CB :: 38.40 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 :: 8.65 HA :: 4.54 HB2 :: 3.32 HB3 :: 3.50 HD1 :: 7.23 HD2 :: 7.23 HE1 :: 6.74 HE2 :: 6.74 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 :: 123.61 Ave N Shift Values>> N :: 120.69(4.18) A26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.73 I 0.14 C 0.08 V 0.02 C Shift Assignments>> C :: 178.30 CA :: 55.60 CB :: 18.10 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.81 HA :: 3.75 HB :: 1.57 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.23 Ave N Shift Values>> N :: 123.23(3.7) E27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 E 0.25 K 0.16 Q 0.14 I 0.09 R 0.01 C Shift Assignments>> C :: 179.96 CA :: 59.14 CB :: 29.00 CG :: 35.10 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 :: 8.48 HA :: 4.14 HB2 :: 2.18 HB3 :: 2.18 HG2 :: 2.32 HG3 :: 2.32 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 :: 120.53 Ave N Shift Values>> N :: 120.68(3.68) Q28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 Q 0.22 K 0.21 E 0.18 I 0.04 R 0.03 C Shift Assignments>> C :: 179.01 CA :: 58.80 CB :: 28.99 CG :: 34.36 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 :: 8.98 HA :: 4.08 HB2 :: 2.07 HB3 :: 2.36 HG2 :: 2.51 HG3 :: 2.51 HE22 :: 7.02 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 :: 118.06 NE2 :: 109.60 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) S29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 179.91 CA :: 62.80 CB :: 62.80 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.30 HA :: 4.13 HB2 :: 3.50 HB3 :: 3.83 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 :: 116.98 Ave N Shift Values>> N :: 116.3(3.95) R30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.45 C 0.36 K 0.09 G 0.07 HN Overlap>> A81 C Shift Assignments>> C :: 175.23 CA :: 59.72 CB :: 30.20 CG :: 27.80 CD :: 43.26 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 :: 7.84 HA :: 4.12 HB2 :: 1.93 HB3 :: 2.05 HG2 :: 1.52 HG3 :: 1.79 HD2 :: 3.20 HD3 :: 3.20 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 :: 124.38 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) V31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.96 C 0.03 C Shift Assignments>> C :: 179.41 CA :: 66.60 CB :: 31.80 CG1 :: 21.40 CG2 :: 21.40 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 :: 8.03 HA :: 3.57 HB :: 2.12 HG1 :: 0.96 HG2 :: 1.07 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 :: 121.40 Ave N Shift Values>> N :: 121.02(4.96) L32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.48 C 0.34 L 0.11 R 0.05 C Shift Assignments>> C :: 178.10 CA :: 58.10 CB :: 41.20 CD1 :: 24.90 CD2 :: 27.80 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 :: 7.89 HA :: 3.95 HB2 :: 1.54 HB3 :: 2.17 HG :: 1.55 HD1 :: 0.79 HD2 :: 1.03 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 :: 119.80 Ave N Shift Values>> N :: 121.98(4.07) E33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.3 I 0.16 K 0.1 Q 0.07 HN Overlap>> D82 C Shift Assignments>> C :: 178.00 CA :: 59.91 CB :: 29.50 CG :: 35.50 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 :: 8.53 HA :: 3.75 HB2 :: 2.23 HB3 :: 2.23 HG2 :: 2.15 HG3 :: 2.15 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 :: 120.06 Ave N Shift Values>> N :: 120.68(3.68) K34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.5 C 0.49 C Shift Assignments>> C :: 178.35 CA :: 59.14 CB :: 32.00 CG :: 24.70 CD :: 29.17 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 :: 7.85 HA :: 4.03 HB2 :: 1.98 HB3 :: 1.98 HG2 :: 1.42 HG3 :: 1.54 HD2 :: 1.66 HD3 :: 1.66 HE2 :: 2.92 HE3 :: 2.92 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 :: 118.83 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) E35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 E 0.24 K 0.18 Q 0.16 I 0.07 R 0.02 HN Overlap>> Q91 C Shift Assignments>> C :: 179.91 CA :: 58.39 CB :: 28.60 CG :: 35.12 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 :: 8.31 HA :: 4.36 HB2 :: 1.82 HB3 :: 2.06 HG2 :: 2.05 HG3 :: 2.49 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 :: 119.45 Ave N Shift Values>> N :: 120.68(3.68) C36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.52 I 0.39 C 0.05 R 0.01 C Shift Assignments>> C :: 179.36 CA :: 63.62 CB :: 26.88 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.56 HA :: 4.14 HB2 :: 2.92 HB3 :: 3.11 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 :: 115.10 Ave N Shift Values>> N :: 119.95(4.79) T37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 C 0.02 C Shift Assignments>> C :: 177.65 CA :: 64.70 CB :: 69.40 CG2 :: 21.50 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 :: 7.66 HA :: 4.07 HB :: 4.28 HG2 :: 1.38 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 :: 112.20 Ave N Shift Values>> N :: 115.7(5.05) K38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 K 0.42 C Shift Assignments>> C :: 174.68 CA :: 56.86 CB :: 34.00 CG :: 26.10 CD :: 30.05 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 :: 7.40 HA :: 3.98 HB2 :: 1.47 HB3 :: 2.09 HG2 :: 1.25 HG3 :: 1.56 HD2 :: 1.56 HD3 :: 1.77 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 :: 117.29 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) I39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 I 0.38 C Shift Assignments>> C :: 178.96 CA :: 60.50 CB :: 34.70 CG1 :: 27.60 CG2 :: 17.25 CD1 :: 11.20 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 :: 7.42 HA :: 3.77 HB :: 2.16 HG2 :: 1.67 HG12 :: 0.88 HG13 :: 1.92 HD1 :: 1.04 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 :: 122.81 Ave N Shift Values>> N :: 121.6(4.72) G40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.4 L 0.22 R 0.19 C 0.1 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 176.79 CA :: 44.38 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.78 HA2 :: 3.15 HA3 :: 3.15 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 116.98 Ave N Shift Values>> N :: 109.91(4.29) S41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.57 S 0.42 C Shift Assignments>> C :: 173.06 CA :: 57.20 CB :: 67.40 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.75 HA :: 4.83 HB2 :: 3.84 HB3 :: 4.29 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 :: 116.20 Ave N Shift Values>> N :: 116.3(3.95) K42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> K 0.5 C 0.49 C Shift Assignments>> C :: 176.00 CA :: 58.10 CB :: 31.90 CG :: 24.90 CD :: 29.10 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>> HA :: 4.28 HB2 :: 1.92 HB3 :: 1.92 HG2 :: 1.50 HG3 :: 1.50 HD2 :: 1.70 HD3 :: 1.70 HE2 :: 2.99 HE3 :: 2.99 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) R43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.46 C 0.34 K 0.11 G 0.07 L 0.01 HN Overlap>> E68 C Shift Assignments>> C :: 176.64 CA :: 55.50 CB :: 30.30 CG :: 27.45 CD :: 43.30 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 :: 8.05 HA :: 4.41 HB2 :: 1.41 HB3 :: 2.10 HG2 :: 1.62 HG3 :: 1.66 HD2 :: 3.16 HD3 :: 3.16 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 :: 116.57 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) D44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.21 K 0.12 C 0.1 N 0.09 F 0.06 R 0.05 Y 0.04 C Shift Assignments>> C :: 174.68 CA :: 53.50 CB :: 41.60 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 :: 7.28 HA :: 4.40 HB2 :: 2.84 HB3 :: 3.02 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 :: 120.99 Ave N Shift Values>> N :: 120.73(4.2) S45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.92 T 0.07 HN Overlap>> D65 C Shift Assignments>> C :: 175.78 CA :: 57.70 CB :: 66.05 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.50 HA :: 4.60 HB2 :: 4.22 HB3 :: 4.26 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 :: 117.90 Ave N Shift Values>> N :: 116.3(3.95) K46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 K 0.49 C Shift Assignments>> C :: 174.17 CA :: 59.40 CB :: 32.00 CG :: 24.60 CD :: 29.30 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 :: 9.21 HA :: 3.97 HB2 :: 1.76 HB3 :: 1.89 HG2 :: 1.42 HG3 :: 1.42 HD2 :: 1.67 HD3 :: 1.67 HE2 :: 2.96 HE3 :: 2.96 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 :: 121.40 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) E47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.46 C 0.32 E 0.18 K 0.02 C Shift Assignments>> C :: 178.60 CA :: 60.47 CB :: 28.50 CG :: 37.20 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 :: 8.87 HA :: 4.03 HB2 :: 1.94 HB3 :: 2.16 HG2 :: 2.23 HG3 :: 2.49 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 :: 120.99 Ave N Shift Values>> N :: 120.68(3.68) L48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.44 C 0.37 L 0.14 R 0.02 C Shift Assignments>> C :: 179.01 CA :: 58.10 CB :: 41.80 CD1 :: 23.60 CD2 :: 27.60 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 :: 8.26 HA :: 4.22 HB2 :: 1.76 HB3 :: 2.17 HG :: 1.57 HD1 :: 1.04 HD2 :: 1.08 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 :: 124.38 Ave N Shift Values>> N :: 121.98(4.07) R49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 R 0.3 G 0.25 K 0.02 C Shift Assignments>> C :: 178.50 CA :: 59.70 CB :: 29.40 CG :: 28.90 CD :: 44.10 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 :: 7.64 HA :: 4.14 HB2 :: 1.82 HB3 :: 2.11 HG2 :: 1.93 HG3 :: 1.93 HD2 :: 3.09 HD3 :: 3.22 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 :: 116.82 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) Y50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.44 C 0.18 Y 0.17 F 0.14 E 0.03 C Shift Assignments>> C :: 177.70 CA :: 61.50 CB :: 38.10 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 :: 8.32 HA :: 4.23 HB2 :: 3.12 HB3 :: 3.12 HD1 :: 7.08 HD2 :: 7.08 HE1 :: 6.79 HE2 :: 6.79 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 :: 118.83 Ave N Shift Values>> N :: 120.79(4.69) K51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.43 C 0.39 R 0.16 HN Overlap>> H122 C Shift Assignments>> C :: 179.06 CA :: 59.60 CB :: 32.10 CG :: 24.70 CD :: 29.40 CE :: 41.90 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 HA :: 3.97 HB2 :: 2.05 HB3 :: 2.14 HG2 :: 1.23 HG3 :: 1.59 HD2 :: 1.68 HD3 :: 1.68 HE2 :: 2.84 HE3 :: 2.92 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 :: 123.46 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) I52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.94 C 0.05 C Shift Assignments>> C :: 179.66 CA :: 66.77 CB :: 38.63 CG1 :: 30.10 CG2 :: 16.42 CD1 :: 15.20 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 :: 8.60 HA :: 3.34 HB :: 1.90 HG2 :: 0.63 HG12 :: 0.11 HG13 :: 1.88 HD1 :: 0.80 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 :: 121.61 Ave N Shift Values>> N :: 121.6(4.72) E53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.33 I 0.26 K 0.02 C Shift Assignments>> C :: 176.64 CA :: 59.35 CB :: 30.16 CG :: 37.30 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 :: 8.32 HA :: 3.88 HB2 :: 1.97 HB3 :: 2.05 HG2 :: 2.82 HG3 :: 2.51 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 :: 114.05 Ave N Shift Values>> N :: 120.68(3.68) T54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.96 C 0.03 C Shift Assignments>> C :: 178.25 CA :: 62.90 CB :: 70.00 CG2 :: 20.60 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 :: 8.33 HA :: 4.32 HB :: 3.88 HG2 :: 0.86 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 :: 107.50 Ave N Shift Values>> N :: 115.7(5.05) E55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 E 0.39 Q 0.05 I 0.03 K 0.02 C Shift Assignments>> C :: 174.47 CA :: 57.61 CB :: 31.96 CG :: 35.90 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 :: 7.60 HA :: 4.59 HB2 :: 2.05 HB3 :: 2.19 HG2 :: 1.98 HG3 :: 2.23 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 :: 120.68 Ave N Shift Values>> N :: 120.68(3.68) L56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 L 0.37 I 0.02 K 0.02 C Shift Assignments>> C :: 176.29 CA :: 58.90 CB :: 41.60 CD1 :: 25.80 CD2 :: 21.70 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 :: 8.20 HA :: 4.15 HB2 :: 1.59 HB3 :: 2.01 HG :: 1.67 HD1 :: 0.86 HD2 :: 0.86 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 :: 117.60 Ave N Shift Values>> N :: 121.98(4.07) I57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.85 C 0.14 C Shift Assignments>> C :: 179.71 CA :: 67.50 CB :: 36.10 CG1 :: 31.90 CG2 :: 16.00 CD1 :: 13.50 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 :: 8.96 HA :: 4.10 HB :: 2.08 HG2 :: 0.95 HG12 :: 0.96 HG13 :: 1.63 HD1 :: 0.73 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 :: 119.29 Ave N Shift Values>> N :: 121.6(4.72) P58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.74 C 0.21 G 0.04 C Shift Assignments>> C :: 175.70 CA :: 66.01 CB :: 30.57 CG :: 28.83 CD :: 49.09 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 :: 4.25 HB2 :: 1.64 HB3 :: 2.25 HG2 :: 1.80 HG3 :: 1.91 HD2 :: 2.86 HD3 :: 3.50 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) N59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 Y 0.19 E 0.15 N 0.12 F 0.12 D 0.05 I 0.03 L 0.01 K 0.01 C Shift Assignments>> C :: 179.11 CA :: 55.90 CB :: 37.60 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 :: 7.78 HA :: 4.49 HB2 :: 2.85 HB3 :: 3.05 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 :: 115.74 ND2 :: 111.00 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) C60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.53 I 0.39 C 0.04 C Shift Assignments>> C :: 177.80 CA :: 64.32 CB :: 27.16 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.07 HA :: 4.01 HB2 :: 2.33 HB3 :: 3.32 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 :: 120.37 Ave N Shift Values>> N :: 119.95(4.79) T61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 C 0.01 C Shift Assignments>> C :: 176.44 CA :: 66.51 CB :: 68.60 CG2 :: 22.39 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 :: 8.88 HA :: 3.52 HB :: 4.23 HG2 :: 1.21 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 :: 115.90 Ave N Shift Values>> N :: 115.7(5.05) S62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.03 CA :: 61.35 CB :: 62.80 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.19 HA :: 4.18 HB2 :: 3.98 HB3 :: 3.98 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 :: 115.44 Ave N Shift Values>> N :: 116.3(3.95) V63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.94 C 0.05 C Shift Assignments>> C :: 177.34 CA :: 65.90 CB :: 31.30 CG1 :: 21.90 CG2 :: 21.90 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 :: 7.41 HA :: 3.71 HB :: 2.10 HG1 :: 0.94 HG2 :: 1.04 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 :: 121.00 Ave N Shift Values>> N :: 121.02(4.96) R64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 R 0.29 K 0.21 G 0.08 L 0.07 C Shift Assignments>> C :: 176.44 CA :: 59.70 CB :: 29.01 CG :: 25.60 CD :: 43.26 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 :: 7.77 HA :: 3.11 HB2 :: 1.20 HB3 :: 2.04 HG2 :: 1.54 HG3 :: 1.61 HD2 :: 2.96 HD3 :: 3.37 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 :: 121.45 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) D65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.25 F 0.22 C 0.2 D 0.09 I 0.06 L 0.05 N 0.05 E 0.02 HN Overlap>> S45 C Shift Assignments>> C :: 177.85 CA :: 56.90 CB :: 39.20 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 :: 8.43 HA :: 4.35 HB2 :: 2.63 HB3 :: 2.70 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 :: 117.90 Ave N Shift Values>> N :: 120.73(4.2) K66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.5 C 0.49 C Shift Assignments>> C :: 178.85 CA :: 59.15 CB :: 32.60 CG :: 25.20 CD :: 29.30 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 :: 7.75 HA :: 3.97 HB2 :: 1.83 HB3 :: 1.93 HG2 :: 1.36 HG3 :: 1.55 HD2 :: 1.56 HD3 :: 1.56 HE2 :: 2.88 HE3 :: 2.88 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 :: 122.22 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) I67 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.87 C 0.12 C Shift Assignments>> C :: 179.46 CA :: 65.40 CB :: 37.30 CG1 :: 30.40 CG2 :: 16.60 CD1 :: 15.50 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 :: 7.90 HA :: 3.15 HB :: 1.37 HG2 :: 0.41 HG12 :: -0.36(S) HG13 :: 1.67 HD1 :: 0.61 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 :: 121.61 Ave N Shift Values>> N :: 121.6(4.72) E68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.36 K 0.08 I 0.08 Q 0.08 HN Overlap>> R43 C Shift Assignments>> C :: 176.94 CA :: 58.52 CB :: 30.41 CG :: 35.74 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 :: 8.04 HA :: 3.77 HB2 :: 2.13 HB3 :: 2.32 HG2 :: 2.42 HG3 :: 2.42 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 :: 116.67 Ave N Shift Values>> N :: 120.68(3.68) S69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.29 CA :: 58.70 CB :: 63.70 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.22 HA :: 4.33 HB2 :: 3.91 HB3 :: 3.99 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 :: 109.00 Ave N Shift Values>> N :: 116.3(3.95) N70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 N 0.27 C 0.12 L 0.1 F 0.07 Y 0.06 K 0.02 C Shift Assignments>> C :: 173.42 CA :: 53.21 CB :: 40.19 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 :: 7.78 HA :: 4.59 HB2 :: 2.59 HB3 :: 2.95 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 :: 123.77 ND2 :: 113.60 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) I71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.84 C 0.15 C Shift Assignments>> C :: 176.34 CA :: 63.30 CB :: 38.40 CG1 :: 27.80 CG2 :: 17.60 CD1 :: 13.90 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 :: 8.53 HA :: 4.05 HB :: 1.96 HG2 :: 1.32 HG12 :: 0.97 HG13 :: 1.44 HD1 :: 0.87 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 :: 125.00 Ave N Shift Values>> N :: 121.6(4.72) L72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.33 K 0.04 A 0.01 C Shift Assignments>> C :: 177.04 CA :: 56.70 CB :: 41.80 CD1 :: 25.40 CD2 :: 22.80 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 :: 8.33 HA :: 4.08 HB2 :: 1.37 HB3 :: 1.65 HG :: 1.66 HD1 :: 0.86 HD2 :: 0.81 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 :: 120.53 Ave N Shift Values>> N :: 121.98(4.07) I73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.64 C 0.35 C Shift Assignments>> C :: 179.56 CA :: 60.62 CB :: 38.20 CG1 :: 28.83 CG2 :: 17.80 CD1 :: 13.80 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 :: 7.76 HA :: 3.95 HB :: 1.67 HG2 :: 1.05 HG12 :: 0.56 HG13 :: 1.28 HD1 :: 0.63 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 :: 118.52 Ave N Shift Values>> N :: 121.6(4.72) H74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.19 Q 0.18 K 0.15 E 0.14 R 0.14 C 0.14 I 0.01 L 0.01 C Shift Assignments>> C :: 175.53 CA :: 55.85 CB :: 29.55 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 :: 7.24 HA :: 4.60 HB2 :: 3.06 HB3 :: 3.34 HD2 :: 7.14 HE1 :: 8.08 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 :: 116.90 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) Q75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.3 C 0.27 K 0.25 E 0.1 R 0.04 C Shift Assignments>> C :: 175.43 CA :: 55.40 CB :: 29.80 CG :: 33.60 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 :: 7.50 HA :: 4.40 HB2 :: 1.95 HB3 :: 2.21 HG2 :: 2.37 HG3 :: 2.37 HE22 :: 7.41 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 :: 116.67 NE2 :: 111.40 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) N76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.4 D 0.24 C 0.14 Y 0.07 F 0.06 L 0.05 C Shift Assignments>> C :: 174.93 CA :: 53.04 CB :: 39.29 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 :: 7.87 HA :: 4.78 HB2 :: 2.63 HB3 :: 2.86 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 :: 119.45 ND2 :: 114.20 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) G77 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 :: 174.62 CA :: 46.60 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.60 HA2 :: 4.03 HA3 :: 4.03 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.90 Ave N Shift Values>> N :: 109.91(4.29) K78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.51 C 0.48 C Shift Assignments>> C :: 175.13 CA :: 59.40 CB :: 32.50 CG :: 25.00 CD :: 28.80 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 :: 8.21 HA :: 4.15 HB2 :: 1.89 HB3 :: 1.89 HG2 :: 1.45 HG3 :: 1.45 HD2 :: 1.62 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 :: 123.15 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) L79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.47 C 0.46 K 0.04 A 0.01 C Shift Assignments>> C :: 178.20 CA :: 57.60 CB :: 40.87 CD1 :: 25.77 CD2 :: 22.47 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 :: 7.95 HA :: 4.17 HB2 :: 1.28 HB3 :: 1.67 HG :: 1.65 HD1 :: 0.83 HD2 :: 0.85 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 :: 117.60 Ave N Shift Values>> N :: 121.98(4.07) S80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 179.06 CA :: 61.60 CB :: 61.80 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.26 HA :: 4.12 HB2 :: 4.23 HB3 :: 4.23 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 :: 112.66 Ave N Shift Values>> N :: 116.3(3.95) A81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.81 I 0.09 C 0.06 V 0.01 HN Overlap>> R30 C Shift Assignments>> C :: 177.24 CA :: 55.20 CB :: 18.00 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.87 HA :: 4.17 HB :: 1.56 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.38 Ave N Shift Values>> N :: 123.23(3.7) D82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.24 Y 0.23 C 0.18 D 0.1 L 0.08 I 0.06 N 0.03 K 0.03 E 0.01 HN Overlap>> E33 C Shift Assignments>> C :: 180.37 CA :: 57.10 CB :: 39.80 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 :: 8.47 HA :: 4.48 HB2 :: 2.60 HB3 :: 2.95 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 :: 120.06 Ave N Shift Values>> N :: 120.73(4.2) F83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.28 F 0.25 Y 0.24 C 0.18 E 0.01 L 0.01 C Shift Assignments>> C :: 179.56 CA :: 60.16 CB :: 39.30 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 :: 8.79 HA :: 4.54 HB2 :: 3.23 HB3 :: 3.27 HD1 :: 7.30 HD2 :: 7.30 HE1 :: 7.15 HE2 :: 7.15 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 :: 119.60 Ave N Shift Values>> N :: 120.69(4.18) K84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 K 0.46 C Shift Assignments>> C :: 176.54 CA :: 60.40 CB :: 31.90 CG :: 25.33 CD :: 29.34 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 :: 8.63 HA :: 3.57 HB2 :: 1.96 HB3 :: 1.96 HG2 :: 1.37 HG3 :: 1.60 HD2 :: 1.66 HD3 :: 1.66 HE2 :: 2.96 HE3 :: 2.96 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 :: 120.22 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) N85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 Y 0.22 F 0.15 E 0.11 N 0.1 D 0.06 I 0.04 L 0.01 C Shift Assignments>> C :: 179.16 CA :: 56.20 CB :: 38.00 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 :: 7.82 HA :: 4.48 HB2 :: 2.93 HB3 :: 2.87 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 :: 117.44 ND2 :: 113.40 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) L86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 L 0.24 K 0.21 G 0.04 R 0.01 A 0.01 C Shift Assignments>> C :: 177.95 CA :: 57.57 CB :: 42.70 CD1 :: 27.70 CD2 :: 22.50 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 :: 8.07 HA :: 3.96 HB2 :: 1.05 HB3 :: 2.01 HG :: 1.86 HD1 :: 0.95 HD2 :: 0.70 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 :: 121.00 Ave N Shift Values>> N :: 121.98(4.07) K87 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.6 K 0.29 R 0.1 C Shift Assignments>> C :: 179.96 CA :: 61.55 CB :: 32.05 CG :: 26.30 CD :: 29.70 CE :: 40.86 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 :: 9.04 HA :: 3.99 HB2 :: 1.62 HB3 :: 1.62 HG2 :: 0.98 HG3 :: 1.05 HD2 :: 1.40 HD3 :: 1.40 HE2 :: 2.20(S) HE3 :: 2.71 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 :: 121.76 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) T88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 C 0.01 C Shift Assignments>> C :: 179.10 CA :: 66.20 CB :: 68.40 CG2 :: 21.67 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 :: 8.07 HA :: 3.96 HB :: 4.30 HG2 :: 1.25 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 :: 117.75 Ave N Shift Values>> N :: 115.7(5.05) K89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.5 C 0.49 C Shift Assignments>> C :: 176.69 CA :: 58.90 CB :: 31.70 CG :: 24.80 CD :: 28.80 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 :: 7.85 HA :: 4.09 HB2 :: 1.88 HB3 :: 1.88 HG2 :: 1.43 HG3 :: 1.43 HD2 :: 1.64 HD3 :: 1.64 HE2 :: 2.86 HE3 :: 2.86 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 :: 122.84 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) Y90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.35 Y 0.21 F 0.2 C 0.19 E 0.02 C Shift Assignments>> C :: 178.60 CA :: 60.70 CB :: 38.60 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 :: 8.64 HA :: 4.28 HB2 :: 3.09 HB3 :: 3.24 HD1 :: 7.14 HD2 :: 7.14 HE1 :: 6.64 HE2 :: 6.64 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 :: 120.68 Ave N Shift Values>> N :: 120.79(4.69) Q91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 K 0.24 Q 0.23 R 0.09 E 0.08 I 0.03 HN Overlap>> E35 C Shift Assignments>> C :: 177.04 CA :: 58.95 CB :: 28.09 CG :: 33.69 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 :: 8.23 HA :: 3.86 HB2 :: 2.18 HB3 :: 2.18 HG2 :: 2.42 HG3 :: 2.42 HE22 :: 7.41 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 :: 119.45 NE2 :: 111.40 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) S92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 178.75 CA :: 61.50 CB :: 62.50 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.81 HA :: 4.25 HB2 :: 4.02 HB3 :: 4.02 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 :: 114.82 Ave N Shift Values>> N :: 116.3(3.95) L93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 C 0.3 K 0.15 G 0.01 C Shift Assignments>> C :: 176.84 CA :: 57.60 CB :: 42.00 CD1 :: 25.80 CD2 :: 24.00 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 :: 8.34 HA :: 4.14 HB2 :: 1.48 HB3 :: 2.00 HG :: 1.81 HD1 :: 0.95 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 :: 124.54 Ave N Shift Values>> N :: 121.98(4.07) Q94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.24 K 0.14 Q 0.13 I 0.12 R 0.01 C Shift Assignments>> C :: 179.16 CA :: 60.10 CB :: 29.30 CG :: 34.90 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 :: 8.12 HA :: 3.77 HB2 :: 1.90 HB3 :: 1.98 HG2 :: 1.90 HG3 :: 2.07 HE22 :: 6.57 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 :: 118.52 NE2 :: 110.20 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) Q95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 K 0.24 Q 0.23 E 0.1 R 0.08 I 0.03 C Shift Assignments>> C :: 178.10 CA :: 58.92 CB :: 28.27 CG :: 33.78 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 :: 7.92 HA :: 4.11 HB2 :: 2.15 HB3 :: 2.15 HG2 :: 2.37 HG3 :: 2.48 HE22 :: 7.39 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 :: 118.52 NE2 :: 111.50 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) S96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 178.60 CA :: 61.30 CB :: 62.80 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.52 HA :: 4.25 HB2 :: 4.04 HB3 :: 4.04 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 :: 116.00 Ave N Shift Values>> N :: 116.3(3.95) Y97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.46 C 0.2 Y 0.15 F 0.12 E 0.03 V 0.01 C Shift Assignments>> C :: 176.64 CA :: 61.74 CB :: 37.70 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 :: 8.50 HA :: 4.23 HB2 :: 2.99 HB3 :: 3.36 HD1 :: 7.02 HD2 :: 7.02 HE1 :: 6.73 HE2 :: 6.73 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 :: 122.53 Ave N Shift Values>> N :: 120.79(4.69) N98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 Y 0.23 F 0.16 E 0.1 N 0.08 D 0.05 I 0.05 L 0.02 C Shift Assignments>> C :: 176.14 CA :: 56.50 CB :: 38.10 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 :: 7.80 HA :: 3.94 HB2 :: 2.71 HB3 :: 2.83 HD21 :: 7.43 HD22 :: 6.98 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 :: 115.90 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) Q99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 K 0.26 Q 0.24 R 0.09 E 0.08 I 0.01 C Shift Assignments>> C :: 178.00 CA :: 58.61 CB :: 28.56 CG :: 33.50 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 :: 8.12 HA :: 4.04 HB2 :: 2.16 HB3 :: 2.16 HG2 :: 2.26 HG3 :: 2.46 HE22 :: 7.32 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 :: 119.14 NE2 :: 111.10 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) R100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 R 0.38 G 0.13 K 0.06 C Shift Assignments>> C :: 178.70 CA :: 59.90 CB :: 29.80 CG :: 28.83 CD :: 43.56 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 :: 8.77 HA :: 3.96 HB2 :: 1.91 HB3 :: 1.83 HG2 :: 1.73 HG3 :: 2.03 HD2 :: 3.20 HD3 :: 3.20 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 :: 120.68 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) K101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 K 0.39 R 0.19 C Shift Assignments>> C :: 178.25 CA :: 59.46 CB :: 31.13 CG :: 24.35 CD :: 29.61 CE :: 41.90 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 :: 8.46 HA :: 3.83 HB2 :: 1.36 HB3 :: 1.63 HG2 :: 1.08 HG3 :: 1.18 HD2 :: 1.48 HD3 :: 1.48 HE2 :: 2.70 HE3 :: 2.85 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 :: 117.29 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) S102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 178.20 CA :: 60.23 CB :: 63.00 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.08 HA :: 4.16 HB2 :: 3.87 HB3 :: 3.87 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 :: 113.43 Ave N Shift Values>> N :: 116.3(3.95) L103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.64 C 0.26 G 0.05 A 0.02 C Shift Assignments>> C :: 175.03 CA :: 55.91 CB :: 42.90 CD1 :: 24.59 CD2 :: 22.86 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 :: 7.42 HA :: 3.95 HB2 :: 0.91 HB3 :: 1.43 HG :: 1.36 HD1 :: 0.73 HD2 :: 0.65 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 :: 121.45 Ave N Shift Values>> N :: 121.98(4.07) F104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.28 D 0.19 C 0.17 Y 0.13 F 0.11 L 0.05 E 0.02 I 0.01 C Shift Assignments>> C :: 176.34 CA :: 54.50 CB :: 38.97 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 :: 7.35 HA :: 5.01 HB2 :: 2.69 HB3 :: 3.04 HD1 :: 7.35 HD2 :: 7.35 HE1 :: 7.24 HE2 :: 7.24 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 :: 116.36 Ave N Shift Values>> N :: 120.69(4.18) P105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.77 C 0.22 C Shift Assignments>> C :: 172.00 CA :: 62.73 CB :: 31.90 CG :: 27.20 CD :: 50.10 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 :: 4.53 HB2 :: 1.84 HB3 :: 2.24 HG2 :: 1.94 HG3 :: 1.94 HD2 :: 3.36 HD3 :: 3.57 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) L106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.65 C 0.23 A 0.06 G 0.02 K 0.01 HN Overlap>> K119 C Shift Assignments>> C :: 177.40 CA :: 54.50 CB :: 42.30 CD1 :: 25.10 CD2 :: 22.70 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 :: 4.33 HB2 :: 1.43 HB3 :: 1.61 HG :: 1.59 HD1 :: 0.80 HD2 :: 0.76 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 :: 122.38 Ave N Shift Values>> N :: 121.98(4.07) K107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.52 C 0.46 C Shift Assignments>> C :: 177.24 CA :: 55.78 CB :: 33.10 CG :: 24.64 CD :: 29.00 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 :: 8.41 HA :: 4.37 HB2 :: 1.71 HB3 :: 1.79 HG2 :: 1.37 HG3 :: 1.42 HD2 :: 1.66 HD3 :: 1.66 HE2 :: 2.96 HE3 :: 2.96 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 :: 122.99 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) T108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.85 C 0.14 C Shift Assignments>> C :: 176.29 CA :: 59.70 CB :: 69.70 CG2 :: 21.50 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 :: 8.25 HA :: 4.55 HB :: 4.11 HG2 :: 1.23 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 :: 118.98 Ave N Shift Values>> N :: 115.7(5.05) P109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.78 C 0.21 C Shift Assignments>> C :: 172.80 CA :: 62.90 CB :: 32.10 CG :: 27.20 CD :: 51.00 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 :: 4.43 HB2 :: 1.87 HB3 :: 2.28 HG2 :: 2.00 HG3 :: 2.00 HD2 :: 3.71 HD3 :: 3.85 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) I110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.66 C 0.33 C Shift Assignments>> C :: 176.50 CA :: 60.72 CB :: 38.77 CG1 :: 27.30 CG2 :: 17.30 CD1 :: 12.90 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 :: 8.19 HA :: 4.13 HB :: 1.80 HG2 :: 1.18 HG12 :: 0.87 HG13 :: 1.46 HD1 :: 0.84 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) S111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.99 CA :: 55.90 CB :: 63.20 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.38 HA :: 4.76 HB2 :: 3.80 HB3 :: 3.85 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 :: 121.45 Ave N Shift Values>> N :: 116.3(3.95) P112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.82 C 0.17 C Shift Assignments>> C :: 172.80 CA :: 63.37 CB :: 32.05 CG :: 27.10 CD :: 50.74 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 :: 4.42 HB2 :: 1.96 HB3 :: 2.27 HG2 :: 1.99 HG3 :: 1.99 HD2 :: 3.75 HD3 :: 3.81 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) G113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.75 L 0.09 C 0.08 R 0.04 C Shift Assignments>> C :: 177.34 CA :: 45.23 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.40 HA2 :: 3.97 HA3 :: 3.97 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.70 Ave N Shift Values>> N :: 109.91(4.29) T114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 C Shift Assignments>> C :: 174.32 CA :: 61.79 CB :: 69.70 CG2 :: 21.50 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 :: 7.98 HA :: 4.36 HB :: 4.23 HG2 :: 1.18 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 :: 113.12 Ave N Shift Values>> N :: 115.7(5.05) S115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.68 CA :: 58.35 CB :: 63.56 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.33 HA :: 4.42 HB2 :: 3.86 HB3 :: 3.86 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 :: 118.06 Ave N Shift Values>> N :: 116.3(3.95) K116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.52 C 0.47 C Shift Assignments>> C :: 174.57 CA :: 56.10 CB :: 32.80 CG :: 24.80 CD :: 28.80 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 :: 8.36 HA :: 4.29 HB2 :: 1.71 HB3 :: 1.82 HG2 :: 1.39 HG3 :: 1.39 HD2 :: 1.66 HD3 :: 1.66 HE2 :: 2.96 HE3 :: 2.96 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 :: 123.25 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) E117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.39 C 0.37 K 0.11 Q 0.06 I 0.05 HN Overlap>> I22 C Shift Assignments>> C :: 176.39 CA :: 56.48 CB :: 29.90 CG :: 36.20 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 :: 8.29 HA :: 4.21 HB2 :: 1.91 HB3 :: 1.98 HG2 :: 2.21 HG3 :: 2.21 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 :: 121.30 Ave N Shift Values>> N :: 120.68(3.68) R118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.45 C 0.36 K 0.12 G 0.05 HN Overlap>> K119 C Shift Assignments>> C :: 176.19 CA :: 55.90 CB :: 30.70 CG :: 26.90 CD :: 43.10 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 :: 8.29 HA :: 4.29 HB2 :: 1.74 HB3 :: 1.84 HG2 :: 1.56 HG3 :: 1.62 HD2 :: 3.17 HD3 :: 3.17 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 :: 122.40 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) K119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.52 C 0.47 HN Overlap>> L106 R118 C Shift Assignments>> C :: 176.03 CA :: 56.10 CB :: 32.98 CG :: 24.50 CD :: 28.90 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 :: 8.36 HA :: 4.30 HB2 :: 1.72 HB3 :: 1.80 HG2 :: 1.38 HG3 :: 1.38 HD2 :: 1.65 HD3 :: 1.65 HE2 :: 2.95 HE3 :: 2.95 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 :: 122.38 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) D120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.16 N 0.13 C 0.11 K 0.09 F 0.08 Y 0.07 R 0.01 C Shift Assignments>> C :: 175.88 CA :: 54.05 CB :: 40.84 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 :: 8.40 HA :: 4.55 HB2 :: 2.56 HB3 :: 2.65 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 :: 120.68 Ave N Shift Values>> N :: 120.73(4.2) I121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.65 C 0.34 C Shift Assignments>> C :: 175.53 CA :: 60.60 CB :: 38.50 CG1 :: 26.90 CG2 :: 17.30 CD1 :: 12.80 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 :: 7.83 HA :: 4.09 HB :: 1.77 HG2 :: 1.07 HG12 :: 0.78 HG13 :: 1.31 HD1 :: 0.77 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 :: 119.91 Ave N Shift Values>> N :: 121.6(4.72) H122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.21 C 0.2 Q 0.16 K 0.15 R 0.1 L 0.07 E 0.07 HN Overlap>> K51 C Shift Assignments>> C :: 175.33 CA :: 53.10 CB :: 28.90 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 :: 8.29 HA :: 4.92 HB2 :: 3.16 HB3 :: 3.16 HD2 :: 7.21 HE1 :: 8.38 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 :: 123.46 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) P123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.89 C 0.1 C Shift Assignments>> C :: 173.80 CA :: 64.50 CB :: 31.80 CG :: 27.10 CD :: 50.40 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 :: 4.28 HB2 :: 1.91 HB3 :: 2.23 HG2 :: 1.93 HG3 :: 1.93 HD2 :: 3.48 HD3 :: 3.69 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) ########################################################################### Overall Results: #Consistent: 121 #Clerical: 0 #Suspicious: 2 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 121 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 2 Shift Relative Order (SRO) Results: #Consistent: 123 #Suspicious: 0 C Shift Results: #Consistent: 502 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 757 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 0 N Shift Results: #Consistent: 126 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: I67 HG12 = -0.36(S), Expected = 1.30, Std = 0.4000, ChiSquare = 3.3248e-05 K87 HE2 = 2.20(S), Expected = 2.93, Std = 0.2000, ChiSquare = 2.6224e-04