A1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> A 0.82 M 0.16 C Shift Assignments>> CA :: 51.9 CB :: 19.4 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> HA :: 4.14 HB :: 1.56 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) D2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> D 0.26 L 0.24 K 0.18 F 0.09 Y 0.07 N 0.06 R 0.06 C Shift Assignments>> C :: 175.6 CA :: 54.7 CB :: 41.5 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>> HA :: 4.66 HB2 :: 2.70 HB3 :: 2.62 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) Q3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.63 E 0.36 C Shift Assignments>> C :: 175.6 CA :: 55.6 CB :: 29.9 CG :: 33.8 CD :: 180.7 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 :: 8.30 HA :: 4.41 HB2 :: 2.12 HB3 :: 2.00 HG2 :: 2.37 HG3 :: 2.37 HE21 :: 7.52 HE22 :: 6.83 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 :: 119.6 NE2 :: 112.3 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) L4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 R 0.2 G 0.18 A 0.01 C Shift Assignments>> C :: 177.6 CA :: 54.6 CB :: 43.7 CG :: 27.3 CD1 :: 26.6 CD2 :: 24.1 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 :: 8.25 HA :: 4.68 HB2 :: 1.75 HB3 :: 1.58 HG :: 1.75 HD1 :: 0.93 HD2 :: 0.93 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 :: 123.0 Ave N Shift Values>> N :: 121.98(4.07) T5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.5 CA :: 60.5 CB :: 71.1 CG2 :: 22.0 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 :: 8.65 HA :: 4.51 HB :: 4.80 HG2 :: 1.36 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 :: 113.1 Ave N Shift Values>> N :: 115.7(5.05) E6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.45 I 0.42 K 0.07 M 0.02 Q 0.01 C Shift Assignments>> C :: 179.5 CA :: 59.9 CB :: 29.3 CG :: 36.6 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 :: 9.02 HA :: 4.02 HB2 :: 2.09 HB3 :: 2.09 HG2 :: 2.43 HG3 :: 2.33 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 :: 120.6 Ave N Shift Values>> N :: 120.68(3.68) E7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.46 E 0.43 K 0.06 M 0.01 Q 0.01 C Shift Assignments>> C :: 179.1 CA :: 59.7 CB :: 29.1 CG :: 36.9 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 :: 8.72 HA :: 4.11 HB2 :: 2.07 HB3 :: 1.98 HG2 :: 2.22 HG3 :: 2.22 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 :: 119.4 Ave N Shift Values>> N :: 120.68(3.68) Q8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.5 Q 0.49 C Shift Assignments>> C :: 178.5 CA :: 58.7 CB :: 29.3 CG :: 35.0 CD :: 179.9 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 :: 7.75 HA :: 3.97 HB2 :: 2.43 HB3 :: 1.82 HG2 :: 2.42 HG3 :: 2.38 HE21 :: 7.45 HE22 :: 6.78 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 :: 120.2 NE2 :: 111.3 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) I9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> N97 C Shift Assignments>> C :: 178.7 CA :: 66.4 CB :: 37.8 CG1 :: 30.4 CG2 :: 17.6 CD1 :: 13.1 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 :: 8.42 HA :: 3.79 HB :: 2.01 HG2 :: 1.16 HG12 :: 1.86 HG13 :: 1.15 HD1 :: 0.89 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 :: 119.6 Ave N Shift Values>> N :: 121.6(4.72) A10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.61 A 0.32 I 0.05 C Shift Assignments>> C :: 179.1 CA :: 55.4 CB :: 18.0 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 HA :: 4.23 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 :: 121.4 Ave N Shift Values>> N :: 123.23(3.7) E11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.48 I 0.31 K 0.11 Q 0.04 M 0.03 C Shift Assignments>> C :: 180.5 CA :: 59.5 CB :: 29.3 CG :: 36.2 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 :: 7.86 HA :: 4.15 HB2 :: 2.14 HB3 :: 2.06 HG2 :: 2.40 HG3 :: 2.40 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 :: 119.9 Ave N Shift Values>> N :: 120.68(3.68) F12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 HN Overlap>> N97 C Shift Assignments>> C :: 178.5 CA :: 60.1 CB :: 38.3 CD1 :: 129.8 CD2 :: 129.8 CE1 :: 129.8 CE2 :: 129.8 CZ :: 132.1 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 :: 8.44 HA :: 4.95 HB2 :: 3.49 HB3 :: 3.46 HD1 :: 7.21 HD2 :: 7.21 HE1 :: 7.25 HE2 :: 7.25 HZ :: 6.75 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 :: 119.8 Ave N Shift Values>> N :: 120.69(4.18) K13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.63 R 0.34 M 0.01 G 0.01 C Shift Assignments>> C :: 179.4 CA :: 60.1 CB :: 31.8 CG :: 25.3 CD :: 28.6 CE :: 41.9 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 :: 9.17 HA :: 3.86 HB2 :: 1.89 HB3 :: 1.75 HG2 :: 1.01 HG3 :: 0.91 HD2 :: 1.30 HD3 :: 1.15 HE2 :: 2.59 HE3 :: 2.59 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 :: 124.1 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) E14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.47 I 0.31 K 0.12 Q 0.04 M 0.02 HN Overlap>> K75 C Shift Assignments>> C :: 179.6 CA :: 59.5 CB :: 29.2 CG :: 36.2 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 :: 7.98 HA :: 4.13 HB2 :: 2.26 HB3 :: 2.26 HG2 :: 2.48 HG3 :: 2.48 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 :: 120.5 Ave N Shift Values>> N :: 120.68(3.68) A15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.58 A 0.33 I 0.04 V 0.02 C Shift Assignments>> C :: 179.2 CA :: 55.6 CB :: 18.9 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.00 HA :: 4.22 HB :: 1.99 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.9 Ave N Shift Values>> N :: 123.23(3.7) F16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> C :: 178.4 CA :: 62.2 CB :: 39.8 CD1 :: 131.5 CD2 :: 131.5 CE1 :: 131.7 CE2 :: 131.7 CZ :: 132.0 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 :: 8.86 HA :: 3.40 HB2 :: 3.28 HB3 :: 2.91 HD1 :: 6.62 HD2 :: 6.62 HE1 :: 7.18 HE2 :: 7.18 HZ :: 6.75 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 :: 118.9 Ave N Shift Values>> N :: 120.69(4.18) S17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> T79 C Shift Assignments>> C :: 174.5 CA :: 61.7 CB :: 63.6 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.12 HA :: 4.23 HB2 :: 4.13 HB3 :: 4.13 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 :: 114.4 Ave N Shift Values>> N :: 116.3(3.95) L18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.76 R 0.13 A 0.08 G 0.01 C Shift Assignments>> C :: 177.7 CA :: 56.5 CB :: 41.8 CG :: 26.1 CD1 :: 22.2 CD2 :: 26.3 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 :: 7.56 HA :: 4.09 HB2 :: 2.14 HB3 :: 1.20 HG :: 2.04 HD1 :: 0.80 HD2 :: 1.01 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 :: 118.8 Ave N Shift Values>> N :: 121.98(4.07) F19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.98 G 0.01 C Shift Assignments>> C :: 175.4 CA :: 59.2 CB :: 41.9 CD1 :: 132.3 CD2 :: 132.3 CE1 :: 130.7 CE2 :: 130.7 CZ :: 129.0 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 :: 7.51 HA :: 4.29 HB2 :: 2.84 HB3 :: 2.74 HD1 :: 7.48 HD2 :: 7.48 HE1 :: 7.32 HE2 :: 7.32 HZ :: 7.67 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 :: 115.4 Ave N Shift Values>> N :: 120.69(4.18) D20 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> N 0.51 D 0.29 L 0.06 Y 0.06 F 0.05 C Shift Assignments>> C :: 176.9 CA :: 52.2 CB :: 39.5 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 :: 7.51 HA :: 4.61 HB2 :: 2.42 HB3 :: 1.66(S) 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 :: 117.0 Ave N Shift Values>> N :: 120.73(4.2) K21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.55 R 0.4 M 0.02 G 0.01 C Shift Assignments>> C :: 178.2 CA :: 57.9 CB :: 32.2 CG :: 24.3 CD :: 28.0 CE :: 42.0 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 :: 7.56 HA :: 4.01 HB2 :: 1.91 HB3 :: 1.91 HG2 :: 1.54 HG3 :: 1.47 HD2 :: 1.72 HD3 :: 1.64 HE2 :: 2.99 HE3 :: 2.91 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 :: 124.2 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) D22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.43 D 0.31 L 0.07 Y 0.07 F 0.07 C Shift Assignments>> C :: 177.7 CA :: 52.9 CB :: 39.6 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 :: 8.19 HA :: 4.62 HB2 :: 3.09 HB3 :: 2.67 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 :: 114.3 Ave N Shift Values>> N :: 120.73(4.2) G23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.89 L 0.04 A 0.02 P 0.02 C Shift Assignments>> C :: 175.3 CA :: 47.3 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.71 HA2 :: 3.95 HA3 :: 3.88 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.6 Ave N Shift Values>> N :: 109.91(4.29) D24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.36 N 0.21 L 0.16 F 0.08 Y 0.07 K 0.06 R 0.01 C Shift Assignments>> C :: 177.3 CA :: 53.6 CB :: 40.6 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 :: 8.55 HA :: 4.53 HB2 :: 3.07 HB3 :: 2.51 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 :: 121.2 Ave N Shift Values>> N :: 120.73(4.2) G25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.09 R 0.03 C Shift Assignments>> C :: 173.9 CA :: 45.4 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 10.60 HA2 :: 4.43 HA3 :: 3.76 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.9 Ave N Shift Values>> N :: 109.91(4.29) T26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 A 0.01 C Shift Assignments>> C :: 173.4 CA :: 59.4 CB :: 72.8 CG2 :: 22.3 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 :: 8.26 HA :: 5.54 HB :: 3.88 HG2 :: 1.07 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 :: 111.6 Ave N Shift Values>> N :: 115.7(5.05) I27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 176.3 CA :: 61.2 CB :: 40.6 CG1 :: 26.8 CG2 :: 17.6 CD1 :: 15.6 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 :: 10.08 HA :: 4.83 HB :: 1.86 HG2 :: 1.10 HG12 :: 1.11 HG13 :: 1.11 HD1 :: 0.45 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 :: 126.4 Ave N Shift Values>> N :: 121.6(4.72) T28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 A 0.01 C Shift Assignments>> C :: 176.5 CA :: 59.3 CB :: 72.8 CG2 :: 21.9 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 :: 8.44 HA :: 5.00 HB :: 4.86 HG2 :: 1.34 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 :: 116.3 Ave N Shift Values>> N :: 115.7(5.05) T29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 177.1 CA :: 66.6 CB :: 68.3 CG2 :: 23.2 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 :: 9.17 HA :: 3.77 HB :: 4.21 HG2 :: 1.31 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 :: 113.6 Ave N Shift Values>> N :: 115.7(5.05) K30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.64 R 0.3 M 0.02 G 0.02 C Shift Assignments>> C :: 180.0 CA :: 59.3 CB :: 32.6 CG :: 25.0 CD :: 29.1 CE :: 42.3 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 :: 7.67 HA :: 4.13 HB2 :: 1.89 HB3 :: 1.83 HG2 :: 1.51 HG3 :: 1.41 HD2 :: 1.71 HD3 :: 1.71 HE2 :: 3.01 HE3 :: 3.01 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 :: 120.3 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) E31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.73 E 0.24 C Shift Assignments>> C :: 178.8 CA :: 59.9 CB :: 29.7 CG :: 38.5 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 :: 7.90 HA :: 3.96 HB2 :: 2.74 HB3 :: 2.42 HG2 :: 2.57 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 :: 122.4 Ave N Shift Values>> N :: 120.68(3.68) L32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.84 R 0.11 G 0.03 C Shift Assignments>> C :: 178.9 CA :: 58.4 CB :: 42.2 CG :: 26.4 CD1 :: 25.8 CD2 :: 22.8 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 :: 8.52 HA :: 4.09 HB2 :: 1.83 HB3 :: 1.28 HG :: 1.28 HD1 :: 0.33 HD2 :: 0.40 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 :: 120.4 Ave N Shift Values>> N :: 121.98(4.07) G33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.55 G 0.16 A 0.15 N 0.07 D 0.02 C Shift Assignments>> C :: 175.3 CA :: 48.5 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.69 HA2 :: 3.94 HA3 :: 3.59 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.3 Ave N Shift Values>> N :: 109.91(4.29) T34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> S38 E84 E87 C Shift Assignments>> C :: 177.3 CA :: 67.0 CB :: 68.7 CG2 :: 21.3 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 :: 8.18 HA :: 3.97 HB :: 4.42 HG2 :: 1.29 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 :: 118.7 Ave N Shift Values>> N :: 115.7(5.05) V35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> N111 C Shift Assignments>> C :: 178.5 CA :: 66.6 CB :: 31.7 CG1 :: 23.0 CG2 :: 21.4 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 :: 7.96 HA :: 3.59 HB :: 2.14 HG1 :: 0.94 HG2 :: 0.53 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 :: 122.6 Ave N Shift Values>> N :: 121.02(4.96) M36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.89 I 0.1 HN Overlap>> F89 C Shift Assignments>> C :: 178.6 CA :: 61.2 CB :: 33.9 CG :: 33.2 CE :: 17.3 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 :: 8.43 HA :: 3.70 HB2 :: 2.69 HB3 :: 2.27 HG2 :: 2.01 HG3 :: 1.96 HE :: 1.92 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 :: 118.0 Ave N Shift Values>> N :: 120.1(3.88) R37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.61 G 0.21 K 0.16 HN Overlap>> R106 V142 C Shift Assignments>> C :: 181.3 CA :: 59.3 CB :: 30.0 CG :: 29.5 CD :: 43.5 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 :: 8.71 HA :: 4.72 HB2 :: 1.93 HB3 :: 1.93 HG2 :: 1.86 HG3 :: 1.86 HD2 :: 3.33 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 :: 118.6 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) S38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> T34 E84 E87 C Shift Assignments>> C :: 175.1 CA :: 61.7 CB :: 62.8 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.14 HA :: 4.40 HB2 :: 4.12 HB3 :: 4.12 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 :: 118.7 Ave N Shift Values>> N :: 116.3(3.95) L39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.63 R 0.16 A 0.15 G 0.04 C Shift Assignments>> C :: 177.3 CA :: 54.4 CB :: 42.3 CG :: 26.4 CD1 :: 22.5 CD2 :: 26.7 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 :: 7.29 HA :: 4.52 HB2 :: 1.83 HB3 :: 1.83 HG :: 1.83 HD1 :: 0.96 HD2 :: 0.77 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 :: 120.8 Ave N Shift Values>> N :: 121.98(4.07) G40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.08 R 0.02 C Shift Assignments>> C :: 174.5 CA :: 45.7 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.92 HA2 :: 4.27 HA3 :: 3.83 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.2 Ave N Shift Values>> N :: 109.91(4.29) Q41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.86 E 0.11 N 0.01 C Shift Assignments>> C :: 174.3 CA :: 54.8 CB :: 29.3 CG :: 33.6 CD :: 178.5 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 :: 7.78 HA :: 4.39 HB2 :: 2.18 HB3 :: 2.18 HG2 :: 2.26 HG3 :: 2.21 HE21 :: 7.19 HE22 :: 6.18 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 :: 118.3 NE2 :: 107.6 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) N42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.52 D 0.47 C Shift Assignments>> CA :: 51.3 CB :: 39.5 CG :: 178.1 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 :: 8.62 HA :: 5.22 HB2 :: 2.81 HB3 :: 2.54 HD21 :: 7.51 HD22 :: 6.73 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 :: 116.6 ND2 :: 112.3 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) P43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.8 CA :: 62.3 CB :: 32.1 CG :: 27.3 CD :: 50.2 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 :: 4.75 HB2 :: 2.15 HB3 :: 2.15 HG2 :: 1.99 HG3 :: 1.93 HD2 :: 3.70 HD3 :: 3.19 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) T44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.3 CA :: 60.2 CB :: 71.1 CG2 :: 22.0 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 :: 8.49 HA :: 4.52 HB :: 4.74 HG2 :: 1.36 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 :: 112.4 Ave N Shift Values>> N :: 115.7(5.05) E45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.45 I 0.39 K 0.09 Q 0.03 M 0.01 C Shift Assignments>> C :: 179.1 CA :: 59.8 CB :: 29.1 CG :: 36.4 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 :: 8.80 HA :: 3.98 HB2 :: 2.07 HB3 :: 2.07 HG2 :: 2.41 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 :: 120.8 Ave N Shift Values>> N :: 120.68(3.68) A46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.54 A 0.41 I 0.03 C Shift Assignments>> C :: 180.0 CA :: 55.0 CB :: 18.3 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.23 HA :: 4.12 HB :: 1.43 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.6 Ave N Shift Values>> N :: 123.23(3.7) E47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.55 I 0.3 K 0.07 M 0.05 Q 0.01 C Shift Assignments>> C :: 179.5 CA :: 59.0 CB :: 29.9 CG :: 36.8 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 :: 7.72 HA :: 4.03 HB2 :: 2.19 HB3 :: 2.19 HG2 :: 2.28 HG3 :: 2.28 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 :: 119.6 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>> L 0.79 R 0.16 G 0.03 C Shift Assignments>> C :: 178.5 CA :: 57.7 CB :: 42.5 CG :: 26.7 CD1 :: 25.9 CD2 :: 24.0 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 :: 7.84 HA :: 3.89 HB2 :: 1.99 HB3 :: 1.24 HG :: 1.75 HD1 :: 0.81 HD2 :: 0.74 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 :: 118.9 Ave N Shift Values>> N :: 121.98(4.07) Q49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.62 E 0.37 C Shift Assignments>> C :: 178.3 CA :: 58.7 CB :: 28.2 CG :: 34.3 CD :: 180.3 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 :: 8.19 HA :: 3.89 HB2 :: 2.23 HB3 :: 2.16 HG2 :: 2.52 HG3 :: 2.48 HE21 :: 7.54 HE22 :: 7.03 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 :: 117.3 NE2 :: 113.0 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) D50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.25 Y 0.2 K 0.19 L 0.13 D 0.08 I 0.05 R 0.04 HN Overlap>> H107 C Shift Assignments>> C :: 178.1 CA :: 57.8 CB :: 41.0 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 :: 8.04 HA :: 4.54 HB2 :: 2.87 HB3 :: 2.62 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 :: 119.6 Ave N Shift Values>> N :: 120.73(4.2) M51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.96 I 0.03 C Shift Assignments>> C :: 178.7 CA :: 60.1 CB :: 33.8 CG :: 33.8 CE :: 16.6 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 :: 7.86 HA :: 4.01 HB2 :: 2.09 HB3 :: 2.09 HG2 :: 2.84 HG3 :: 2.84 HE :: 1.27 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 :: 116.8 Ave N Shift Values>> N :: 120.1(3.88) I52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> K26 C Shift Assignments>> C :: 178.1 CA :: 62.6 CB :: 36.5 CG1 :: 28.2 CG2 :: 16.6 CD1 :: 10.5 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 :: 7.71 HA :: 4.13 HB :: 2.16 HG2 :: 0.85 HG12 :: 1.68 HG13 :: 1.60 HD1 :: 0.79 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 :: 117.8 Ave N Shift Values>> N :: 121.6(4.72) N53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.61 D 0.35 E 0.02 C Shift Assignments>> C :: 178.6 CA :: 56.6 CB :: 38.2 CG :: 176.7 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 :: 9.16 HA :: 4.46 HB2 :: 3.13 HB3 :: 2.94 HD21 :: 7.80 HD22 :: 6.95 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 :: 117.8 ND2 :: 111.4 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) E54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.41 K 0.2 Q 0.19 M 0.09 I 0.07 R 0.01 C Shift Assignments>> C :: 176.7 CA :: 57.7 CB :: 29.7 CG :: 35.4 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 :: 8.10 HA :: 4.42 HB2 :: 2.65 HB3 :: 2.36 HG2 :: 2.68 HG3 :: 2.68 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 :: 113.7 Ave N Shift Values>> N :: 120.68(3.68) V55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.1 CA :: 61.2 CB :: 33.4 CG1 :: 22.9 CG2 :: 22.8 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 :: 7.17 HA :: 4.21 HB :: 2.11 HG1 :: 0.93 HG2 :: 0.75 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 :: 114.5 Ave N Shift Values>> N :: 121.02(4.96) D56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.35 N 0.23 L 0.15 F 0.09 Y 0.09 K 0.05 C Shift Assignments>> C :: 176.0 CA :: 53.8 CB :: 40.4 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 :: 7.60 HA :: 4.46 HB2 :: 2.84 HB3 :: 2.66 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 :: 121.6 Ave N Shift Values>> N :: 120.73(4.2) A57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.51 M 0.41 L 0.03 V 0.01 C Shift Assignments>> C :: 178.8 CA :: 54.5 CB :: 19.9 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.14 HA :: 4.27 HB :: 1.58 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 131.3 Ave N Shift Values>> N :: 123.23(3.7) D58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.4 D 0.33 L 0.09 F 0.07 Y 0.06 K 0.01 HN Overlap>> S8 C Shift Assignments>> C :: 178.0 CA :: 52.7 CB :: 39.9 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 :: 8.28 HA :: 4.68 HB2 :: 3.10 HB3 :: 2.73 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 :: 114.1 Ave N Shift Values>> N :: 120.73(4.2) G59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.91 L 0.04 A 0.01 C Shift Assignments>> C :: 175.1 CA :: 47.1 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.62 HA2 :: 3.99 HA3 :: 3.82 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.5 Ave N Shift Values>> N :: 109.91(4.29) N60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.52 D 0.41 E 0.05 C Shift Assignments>> C :: 176.9 CA :: 52.8 CB :: 37.7 CG :: 178.9 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 :: 8.21 HA :: 4.67 HB2 :: 3.35 HB3 :: 2.70 HD21 :: 7.78 HD22 :: 6.97 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 :: 119.0 ND2 :: 115.2 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) G61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.08 R 0.02 C Shift Assignments>> C :: 173.2 CA :: 45.6 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 10.70 HA2 :: 4.33 HA3 :: 3.55 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 113.6 Ave N Shift Values>> N :: 109.91(4.29) T62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.0 CA :: 59.4 CB :: 72.5 CG2 :: 22.6 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 :: 7.70 HA :: 4.79 HB :: 4.06 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 :: 108.3 Ave N Shift Values>> N :: 115.7(5.05) I63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.81 A 0.17 C Shift Assignments>> C :: 175.8 CA :: 57.5 CB :: 37.9 CG1 :: 27.5 CG2 :: 18.0 CD1 :: 10.5 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 :: 8.94 HA :: 5.42 HB :: 2.44 HG2 :: 1.14 HG12 :: 1.55 HG13 :: 1.55 HD1 :: 0.97 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 :: 124.6 Ave N Shift Values>> N :: 121.6(4.72) D64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.27 N 0.1 R 0.09 K 0.09 F 0.04 G 0.03 Y 0.02 C Shift Assignments>> C :: 175.8 CA :: 52.0 CB :: 42.3 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 :: 8.91 HA :: 5.49 HB2 :: 3.20 HB3 :: 2.84 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 :: 128.4 Ave N Shift Values>> N :: 120.73(4.2) F65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> CA :: 63.0 CB :: 36.0 CD1 :: 132.1 CD2 :: 132.1 CE1 :: 130.7 CE2 :: 130.7 CZ :: 131.7 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 :: 8.83 HA :: 3.90 HB2 :: 2.78 HB3 :: 1.99 HD1 :: 6.80 HD2 :: 6.80 HE1 :: 7.23 HE2 :: 7.23 HZ :: 6.65 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 :: 118.2 Ave N Shift Values>> N :: 120.69(4.18) P66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.91 G 0.08 C Shift Assignments>> C :: 179.3 CA :: 66.7 CB :: 30.6 CG :: 28.4 CD :: 49.0 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 :: 3.81 HB2 :: 2.20 HB3 :: 1.88 HG2 :: 2.17 HG3 :: 1.86 HD2 :: 3.75 HD3 :: 3.75 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) E67 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.47 E 0.46 K 0.03 M 0.02 C Shift Assignments>> C :: 179.1 CA :: 59.2 CB :: 29.7 CG :: 37.6 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 :: 8.28 HA :: 3.92 HB2 :: 2.06 HB3 :: 2.06 HG2 :: 3.04(S) HG3 :: 3.04(S) 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 :: 118.5 Ave N Shift Values>> N :: 120.68(3.68) F68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 HN Overlap>> D80 C Shift Assignments>> C :: 176.5 CA :: 61.0 CB :: 40.6 CD1 :: 131.6 CD2 :: 131.6 CE1 :: 132.0 CE2 :: 132.0 CZ :: 131.5 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 :: 8.42 HA :: 3.58 HB2 :: 3.39 HB3 :: 2.94 HD1 :: 6.69 HD2 :: 6.69 HE1 :: 6.75 HE2 :: 6.75 HZ :: 7.20 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 :: 123.1 Ave N Shift Values>> N :: 120.69(4.18) L69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.97 R 0.01 C Shift Assignments>> C :: 178.6 CA :: 57.4 CB :: 41.3 CG :: 25.9 CD1 :: 24.7 CD2 :: 24.8 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 :: 8.82 HA :: 3.23 HB2 :: 1.20 HB3 :: 0.97 HG :: 1.03 HD1 :: 0.65 HD2 :: 0.57 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 :: 119.3 Ave N Shift Values>> N :: 121.98(4.07) T70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.9 CA :: 66.7 CB :: 68.6 CG2 :: 21.7 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 :: 7.69 HA :: 3.65 HB :: 4.06 HG2 :: 1.17 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 :: 114.9 Ave N Shift Values>> N :: 115.7(5.05) M71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.94 A 0.03 I 0.01 C Shift Assignments>> C :: 176.9 CA :: 57.9 CB :: 31.8 CG :: 29.5 CE :: 15.6 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 :: 6.66 HA :: 3.31 HB2 :: 1.44 HB3 :: 1.09 HG2 :: 1.35 HG3 :: 1.26 HE :: 0.53 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 :: 119.3 Ave N Shift Values>> N :: 120.1(3.88) M72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.64 A 0.35 C Shift Assignments>> C :: 177.7 CA :: 55.4 CB :: 31.2 CG :: 32.1 CE :: 18.3 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 :: 7.41 HA :: 3.94 HB2 :: 1.11 HB3 :: 1.04 HG2 :: 1.50 HG3 :: 1.42 HE :: 1.60 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 :: 116.2 Ave N Shift Values>> N :: 120.1(3.88) A73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.67 M 0.31 HN Overlap>> K77 A88 C Shift Assignments>> C :: 178.4 CA :: 53.4 CB :: 18.6 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.06 HA :: 4.11 HB :: 1.30 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.2 Ave N Shift Values>> N :: 123.23(3.7) R74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.71 K 0.12 G 0.12 L 0.03 C Shift Assignments>> C :: 176.9 CA :: 57.1 CB :: 30.1 CG :: 27.1 CD :: 43.4 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 :: 7.40 HA :: 4.21 HB2 :: 1.97 HB3 :: 1.91 HG2 :: 1.71 HG3 :: 1.69 HD2 :: 3.23 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 :: 117.7 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) K75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.61 R 0.31 M 0.06 G 0.01 HN Overlap>> E14 C Shift Assignments>> C :: 177.2 CA :: 56.7 CB :: 32.5 CG :: 24.6 CD :: 29.1 CE :: 42.0 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 :: 8.01 HA :: 4.35 HB2 :: 1.94 HB3 :: 1.83 HG2 :: 1.51 HG3 :: 1.51 HD2 :: 1.73 HD3 :: 1.73 HE2 :: 3.04 HE3 :: 3.04 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 :: 120.6 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) M76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.8 A 0.19 HN Overlap>> K20 C Shift Assignments>> C :: 176.4 CA :: 56.2 CB :: 33.0 CG :: 32.4 CE :: 17.4 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 :: 8.19 HA :: 4.46 HB2 :: 2.18 HB3 :: 2.10 HG2 :: 2.68 HG3 :: 2.63 HE :: 2.12 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 :: 120.3 Ave N Shift Values>> N :: 120.1(3.88) K77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.68 R 0.25 M 0.04 G 0.01 HN Overlap>> A73 A88 C Shift Assignments>> C :: 176.5 CA :: 56.7 CB :: 33.3 CG :: 24.7 CD :: 29.0 CE :: 42.0 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 :: 8.04 HA :: 4.36 HB2 :: 1.91 HB3 :: 1.84 HG2 :: 1.50 HG3 :: 1.50 HD2 :: 1.72 HD3 :: 1.72 HE2 :: 3.02 HE3 :: 3.02 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 :: 121.1 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) D78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.27 L 0.22 K 0.16 F 0.1 Y 0.09 N 0.08 R 0.04 HN Overlap>> L105 C Shift Assignments>> C :: 176.7 CA :: 54.8 CB :: 41.2 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 :: 8.33 HA :: 4.69 HB2 :: 2.83 HB3 :: 2.71 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 :: 121.9 Ave N Shift Values>> N :: 120.73(4.2) T79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> S17 C Shift Assignments>> C :: 174.7 CA :: 62.5 CB :: 69.9 CG2 :: 21.8 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 :: 8.13 HA :: 4.33 HB :: 4.31 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 :: 114.5 Ave N Shift Values>> N :: 115.7(5.05) D80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.27 L 0.22 K 0.16 F 0.11 Y 0.09 N 0.07 R 0.04 HN Overlap>> F68 C Shift Assignments>> C :: 177.1 CA :: 54.9 CB :: 41.2 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 :: 4.67 HB2 :: 2.78 HB3 :: 2.73 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 :: 123.2 Ave N Shift Values>> N :: 120.73(4.2) S81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.6 CA :: 60.2 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 :: 8.40 HA :: 4.44 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 :: 117.1 Ave N Shift Values>> N :: 116.3(3.95) E82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.56 I 0.24 K 0.1 M 0.05 Q 0.03 C Shift Assignments>> C :: 177.7 CA :: 58.5 CB :: 29.7 CG :: 36.6 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 :: 8.36 HA :: 4.21 HB2 :: 2.19 HB3 :: 2.12 HG2 :: 2.37 HG3 :: 2.33 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 :: 122.2 Ave N Shift Values>> N :: 120.68(3.68) E83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.5 I 0.25 K 0.11 Q 0.06 M 0.05 C Shift Assignments>> C :: 179.5 CA :: 59.6 CB :: 29.8 CG :: 36.0 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 :: 8.18 HA :: 4.11 HB2 :: 2.13 HB3 :: 2.13 HG2 :: 2.33 HG3 :: 2.33 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 :: 120.0 Ave N Shift Values>> N :: 120.68(3.68) E84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.49 I 0.38 K 0.06 M 0.03 Q 0.01 HN Overlap>> T34 S38 E87 C Shift Assignments>> C :: 179.3 CA :: 59.5 CB :: 29.6 CG :: 36.8 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 :: 8.18 HA :: 4.14 HB2 :: 2.13 HB3 :: 2.13 HG2 :: 2.41 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 :: 118.7 Ave N Shift Values>> N :: 120.68(3.68) I85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> V121 C Shift Assignments>> C :: 177.8 CA :: 64.6 CB :: 37.5 CG1 :: 29.0 CG2 :: 18.8 CD1 :: 13.2 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 :: 7.89 HA :: 3.97 HB :: 2.16 HG2 :: 1.11 HG12 :: 1.79 HG13 :: 1.11 HD1 :: 0.78 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 :: 120.8 Ave N Shift Values>> N :: 121.6(4.72) R86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.74 K 0.12 G 0.11 L 0.01 HN Overlap>> L105 E13 C Shift Assignments>> C :: 178.4 CA :: 59.5 CB :: 29.8 CG :: 27.5 CD :: 43.2 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 :: 8.32 HA :: 4.05 HB2 :: 2.22 HB3 :: 1.98 HG2 :: 2.11 HG3 :: 2.11 HD2 :: 3.01 HD3 :: 3.01 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 :: 121.7 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) E87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.48 I 0.22 K 0.15 Q 0.08 M 0.03 HN Overlap>> T34 S38 E84 C Shift Assignments>> C :: 177.8 CA :: 58.9 CB :: 29.2 CG :: 36.0 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 :: 8.20 HA :: 3.78 HB2 :: 1.99 HB3 :: 1.99 HG2 :: 2.16 HG3 :: 2.16 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 :: 118.7 Ave N Shift Values>> N :: 120.68(3.68) A88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.49 A 0.45 I 0.02 V 0.01 L 0.01 HN Overlap>> A73 K77 C Shift Assignments>> C :: 179.1 CA :: 54.9 CB :: 19.0 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 HA :: 4.12 HB :: 1.78 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.1 Ave N Shift Values>> N :: 123.23(3.7) F89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 HN Overlap>> M36 Q11 M14 T16 C Shift Assignments>> C :: 177.1 CA :: 62.5 CB :: 39.2 CD1 :: 131.7 CD2 :: 131.7 CE1 :: 131.5 CE2 :: 131.5 CZ :: 131.5 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 :: 8.44 HA :: 3.19 HB2 :: 2.96 HB3 :: 2.96 HD1 :: 6.62 HD2 :: 6.62 HE1 :: 7.04 HE2 :: 7.04 HZ :: 7.07 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 :: 118.1 Ave N Shift Values>> N :: 120.69(4.18) R90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.71 G 0.15 K 0.12 C Shift Assignments>> C :: 178.1 CA :: 59.1 CB :: 30.3 CG :: 27.7 CD :: 43.5 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 :: 7.78 HA :: 3.97 HB2 :: 2.03 HB3 :: 2.03 HG2 :: 1.91 HG3 :: 1.75 HD2 :: 3.25 HD3 :: 3.25 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 :: 115.9 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) V91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 177.2 CA :: 64.8 CB :: 31.4 CG1 :: 22.1 CG2 :: 21.5 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 :: 7.49 HA :: 3.82 HB :: 2.23 HG1 :: 1.05 HG2 :: 0.88 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 :: 114.8 Ave N Shift Values>> N :: 121.02(4.96) F92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> C :: 176.5 CA :: 59.6 CB :: 40.8 CD1 :: 130.9 CD2 :: 130.9 CE1 :: 132.1 CE2 :: 132.1 CZ :: 128.6 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 :: 7.56 HA :: 4.26 HB2 :: 2.84 HB3 :: 2.75 HD1 :: 7.39 HD2 :: 7.39 HE1 :: 7.46 HE2 :: 7.46 HZ :: 7.59 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 :: 117.7 Ave N Shift Values>> N :: 120.69(4.18) D93 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> N 0.6 D 0.21 Y 0.06 F 0.05 L 0.03 C Shift Assignments>> C :: 177.2 CA :: 52.3 CB :: 38.8 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 :: 7.72 HA :: 4.60 HB2 :: 2.39 HB3 :: 1.47(S) 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 :: 117.1 Ave N Shift Values>> N :: 120.73(4.2) K94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.66 R 0.29 M 0.03 C Shift Assignments>> C :: 178.3 CA :: 58.9 CB :: 32.8 CG :: 24.2 CD :: 28.4 CE :: 41.8 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 :: 7.57 HA :: 3.98 HB2 :: 1.90 HB3 :: 1.90 HG2 :: 1.48 HG3 :: 1.48 HD2 :: 1.59 HD3 :: 1.50 HE2 :: 2.85 HE3 :: 2.80 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 :: 126.0 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) D95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.41 D 0.32 L 0.08 Y 0.07 F 0.07 K 0.01 C Shift Assignments>> C :: 177.7 CA :: 53.0 CB :: 39.7 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 :: 8.32 HA :: 4.59 HB2 :: 3.11 HB3 :: 2.68 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 :: 114.3 Ave N Shift Values>> N :: 120.73(4.2) G96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.91 L 0.04 A 0.01 C Shift Assignments>> C :: 175.2 CA :: 47.1 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.85 HA2 :: 4.05 HA3 :: 3.89 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.5 Ave N Shift Values>> N :: 109.91(4.29) N97 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.58 N 0.24 E 0.16 HN Overlap>> I9 F12 C Shift Assignments>> C :: 176.0 CA :: 52.6 CB :: 37.8 CG :: 179.9(M) 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 :: 8.43 HA :: 4.68 HB2 :: 3.35 HB3 :: 2.69 HD21 :: 8.07 HD22 :: 7.39 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 :: 119.7 ND2 :: 116.7 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) G98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.74 L 0.14 R 0.07 F 0.01 C Shift Assignments>> C :: 172.7 CA :: 45.0 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 10.68 HA2 :: 4.12 HA3 :: 3.50 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.6 Ave N Shift Values>> N :: 109.91(4.29) Y99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.78 G 0.21 C Shift Assignments>> C :: 174.9 CA :: 56.0 CB :: 43.1 CD1 :: 133.7 CD2 :: 133.7 CE1 :: 118.3 CE2 :: 118.3 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 :: 7.70 HA :: 5.18 HB2 :: 2.57 HB3 :: 2.57 HD1 :: 6.82 HD2 :: 6.82 HE1 :: 7.00 HE2 :: 7.00 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 :: 116.0 Ave N Shift Values>> N :: 120.79(4.69) I100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 175.5 CA :: 61.4 CB :: 39.7 CG1 :: 27.0 CG2 :: 17.4 CD1 :: 16.1 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 :: 10.28 HA :: 4.75 HB :: 1.97 HG2 :: 1.11 HG12 :: 1.38 HG13 :: 0.27 HD1 :: 0.50 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 :: 127.1 Ave N Shift Values>> N :: 121.6(4.72) S101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.74 T 0.25 C Shift Assignments>> C :: 175.5 CA :: 55.6 CB :: 67.0 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.93 HA :: 5.03 HB2 :: 4.51 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 :: 123.4 Ave N Shift Values>> N :: 116.3(3.95) A102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.65 A 0.24 I 0.07 V 0.01 C Shift Assignments>> C :: 179.9 CA :: 55.9 CB :: 18.0 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.33 HA :: 3.92 HB :: 1.52 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) A103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.58 A 0.36 I 0.04 C Shift Assignments>> C :: 181.3 CA :: 55.3 CB :: 18.3 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.28 HA :: 4.04 HB :: 1.45 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 118.3 Ave N Shift Values>> N :: 123.23(3.7) E104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.69 E 0.27 K 0.01 L 0.01 C Shift Assignments>> C :: 179.5 CA :: 59.4 CB :: 28.9 CG :: 38.3 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 :: 7.93 HA :: 4.05 HB2 :: 2.61 HB3 :: 2.61 HG2 :: 2.61 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 :: 120.2 Ave N Shift Values>> N :: 120.68(3.68) L105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.87 R 0.1 G 0.01 HN Overlap>> D78 R86 C Shift Assignments>> C :: 178.3 CA :: 58.1 CB :: 41.8 CG :: 26.8 CD1 :: 25.5 CD2 :: 23.5 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 :: 8.35 HA :: 4.13 HB2 :: 1.83 HB3 :: 1.28 HG :: 1.32 HD1 :: 0.34 HD2 :: 0.50 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 :: 121.8 Ave N Shift Values>> N :: 121.98(4.07) R106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.68 G 0.18 K 0.12 HN Overlap>> R37 C Shift Assignments>> C :: 178.7 CA :: 60.0 CB :: 30.3 CG :: 28.1 CD :: 43.5 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 :: 8.79 HA :: 3.80 HB2 :: 1.99 HB3 :: 1.99 HG2 :: 1.73 HG3 :: 1.63 HD2 :: 3.29 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 :: 118.6 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) H107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.51 H 0.48 HN Overlap>> D50 C Shift Assignments>> C :: 177.6 CA :: 59.6 CB :: 30.0 CD2 :: 118.5 CE1 :: 138.8 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 :: 8.06 HA :: 4.33 HB2 :: 3.43 HB3 :: 3.33 HD2 :: 6.98 HE1 :: 7.88 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 :: 119.7 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) V108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 178.1 CA :: 66.7 CB :: 31.7 CG1 :: 23.0 CG2 :: 21.4 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 :: 7.90 HA :: 3.58 HB :: 2.20 HG1 :: 0.99 HG2 :: 0.69 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 :: 119.4 Ave N Shift Values>> N :: 121.02(4.96) M109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.93 I 0.04 A 0.01 C Shift Assignments>> C :: 178.6 CA :: 59.2 CB :: 31.9 CG :: 33.3 CE :: 17.9 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 :: 8.25 HA :: 3.94 HB2 :: 2.13 HB3 :: 2.05 HG2 :: 2.58 HG3 :: 2.44 HE :: 1.88 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 :: 116.5 Ave N Shift Values>> N :: 120.1(3.88) T110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 178.1 CA :: 66.5 CB :: 68.8 CG2 :: 21.8 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 :: 8.50 HA :: 4.07 HB :: 4.28 HG2 :: 1.28 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 :: 115.7 Ave N Shift Values>> N :: 115.7(5.05) N111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.68 D 0.31 HN Overlap>> V35 C Shift Assignments>> C :: 176.7 CA :: 56.0 CB :: 38.3 CG :: 176.3 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 :: 7.98 HA :: 4.46 HB2 :: 2.84 HB3 :: 2.84 HD21 :: 7.53 HD22 :: 6.53 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 :: 122.5 ND2 :: 111.9 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) L112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.68 R 0.15 G 0.08 A 0.07 C Shift Assignments>> C :: 177.5 CA :: 55.0 CB :: 43.0 CG :: 26.4 CD1 :: 26.6 CD2 :: 22.6 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 :: 7.63 HA :: 4.38 HB2 :: 1.85 HB3 :: 1.77 HG :: 1.92 HD1 :: 0.85 HD2 :: 0.97 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 :: 117.6 Ave N Shift Values>> N :: 121.98(4.07) G113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.89 L 0.07 R 0.01 C Shift Assignments>> C :: 174.8 CA :: 45.8 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.85 HA2 :: 4.20 HA3 :: 3.82 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.6 Ave N Shift Values>> N :: 109.91(4.29) E114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.47 M 0.29 Q 0.11 K 0.08 I 0.02 C Shift Assignments>> C :: 175.8 CA :: 55.7 CB :: 31.0 CG :: 35.8 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 :: 7.79 HA :: 4.28 HB2 :: 2.02 HB3 :: 1.72 HG2 :: 2.18 HG3 :: 2.06 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 :: 119.7 Ave N Shift Values>> N :: 120.68(3.68) K115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.57 R 0.34 M 0.05 G 0.01 HN Overlap>> F141 C Shift Assignments>> C :: 175.5 CA :: 55.6 CB :: 32.4 CG :: 24.6 CD :: 29.0 CE :: 42.3 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 :: 8.54 HA :: 4.41 HB2 :: 1.83 HB3 :: 1.67 HG2 :: 1.43 HG3 :: 1.35 HD2 :: 1.67 HD3 :: 1.67 HE2 :: 3.00 HE3 :: 3.00 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 :: 123.5 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) L116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 G 0.26 R 0.2 HN Overlap>> A17 C Shift Assignments>> C :: 177.4 CA :: 54.5 CB :: 44.0 CG :: 27.6 CD1 :: 25.1 CD2 :: 26.2 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 :: 4.74 HB2 :: 1.67 HB3 :: 1.48 HG :: 1.63 HD1 :: 0.81 HD2 :: 0.78 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 :: 124.2 Ave N Shift Values>> N :: 121.98(4.07) T117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.5 CA :: 60.9 CB :: 71.3 CG2 :: 21.9 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 :: 8.71 HA :: 4.50 HB :: 4.70 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 :: 113.2 Ave N Shift Values>> N :: 115.7(5.05) D118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.33 Y 0.32 I 0.12 D 0.07 L 0.07 K 0.03 N 0.01 E 0.01 C Shift Assignments>> C :: 178.5 CA :: 58.0 CB :: 39.8 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 :: 8.87 HA :: 4.25 HB2 :: 2.75 HB3 :: 2.60 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 :: 121.6 Ave N Shift Values>> N :: 120.73(4.2) E119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.44 I 0.43 K 0.07 Q 0.01 M 0.01 C Shift Assignments>> C :: 179.1 CA :: 59.7 CB :: 29.1 CG :: 36.7 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 :: 8.73 HA :: 4.13 HB2 :: 2.42 HB3 :: 2.32 HG2 :: 2.08 HG3 :: 1.99 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 :: 119.0 Ave N Shift Values>> N :: 120.68(3.68) E120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.52 I 0.39 M 0.05 K 0.02 HN Overlap>> K27 C Shift Assignments>> C :: 179.5 CA :: 59.3 CB :: 30.4 CG :: 37.4 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 :: 7.71 HA :: 4.03 HB2 :: 2.35 HB3 :: 2.35 HG2 :: 2.37 HG3 :: 2.37 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 :: 120.9 Ave N Shift Values>> N :: 120.68(3.68) V121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> I85 C Shift Assignments>> C :: 177.5 CA :: 66.7 CB :: 31.4 CG1 :: 23.7 CG2 :: 22.3 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 :: 7.85 HA :: 3.50 HB :: 2.18 HG1 :: 0.93 HG2 :: 0.93 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 :: 120.7 Ave N Shift Values>> N :: 121.02(4.96) D122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.29 Y 0.25 K 0.12 L 0.12 D 0.09 I 0.07 R 0.01 N 0.01 HN Overlap>> E23 C Shift Assignments>> C :: 179.1 CA :: 57.7 CB :: 40.5 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 :: 8.11 HA :: 4.36 HB2 :: 2.78 HB3 :: 2.66 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 :: 119.2 Ave N Shift Values>> N :: 120.73(4.2) E123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.53 I 0.31 K 0.07 M 0.05 Q 0.02 C Shift Assignments>> C :: 177.6 CA :: 59.4 CB :: 30.0 CG :: 36.6 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 :: 7.97 HA :: 4.07 HB2 :: 2.24 HB3 :: 2.24 HG2 :: 2.35 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 :: 119.8 Ave N Shift Values>> N :: 120.68(3.68) M124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.93 I 0.06 C Shift Assignments>> C :: 179.3 CA :: 60.5 CB :: 32.8 CG :: 33.5 CE :: 16.8 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 :: 7.72 HA :: 3.95 HB2 :: 2.05 HB3 :: 2.05 HG2 :: 2.84 HG3 :: 2.84 HE :: 1.35 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 :: 118.5 Ave N Shift Values>> N :: 120.1(3.88) I125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> D129 C Shift Assignments>> C :: 177.2 CA :: 62.5 CB :: 35.9 CG1 :: 26.9 CG2 :: 16.8 CD1 :: 9.5 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 :: 7.67 HA :: 3.97 HB :: 2.37 HG2 :: 0.85 HG12 :: 1.77 HG13 :: 1.36 HD1 :: 0.79 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 :: 118.2 Ave N Shift Values>> N :: 121.6(4.72) R126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.68 G 0.2 K 0.11 C Shift Assignments>> C :: 179.9 CA :: 60.0 CB :: 30.8 CG :: 27.7 CD :: 43.6 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 :: 8.58 HA :: 4.17 HB2 :: 2.02 HB3 :: 1.95 HG2 :: 1.82 HG3 :: 1.67 HD2 :: 3.29 HD3 :: 3.29 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 :: 117.9 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) E127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.39 K 0.23 Q 0.21 M 0.07 I 0.07 R 0.01 C Shift Assignments>> C :: 177.4 CA :: 57.7 CB :: 29.4 CG :: 35.3 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 :: 8.34 HA :: 4.41 HB2 :: 2.19 HB3 :: 2.09 HG2 :: 2.69 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 :: 113.6 Ave N Shift Values>> N :: 120.68(3.68) A128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.69 M 0.18 L 0.1 C Shift Assignments>> C :: 177.1 CA :: 52.1 CB :: 21.1 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.29 HA :: 4.55 HB :: 1.49 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 118.7 Ave N Shift Values>> N :: 123.23(3.7) D129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 L 0.19 N 0.15 K 0.1 F 0.09 Y 0.08 R 0.02 HN Overlap>> I125 C Shift Assignments>> C :: 175.8 CA :: 54.0 CB :: 40.9 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 :: 7.67 HA :: 4.52 HB2 :: 3.03 HB3 :: 2.61 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 :: 118.1 Ave N Shift Values>> N :: 120.73(4.2) I130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 178.1 CA :: 63.5 CB :: 38.6 CG1 :: 27.9 CG2 :: 17.4 CD1 :: 12.7 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 :: 8.15 HA :: 3.94 HB :: 2.03 HG2 :: 0.97 HG12 :: 1.75 HG13 :: 1.34 HD1 :: 0.94 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 :: 127.1 Ave N Shift Values>> N :: 121.6(4.72) D131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 N 0.28 L 0.12 F 0.1 Y 0.1 K 0.03 C Shift Assignments>> C :: 178.3 CA :: 53.9 CB :: 40.0 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 :: 4.52 HB2 :: 3.13 HB3 :: 2.68 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 :: 116.8 Ave N Shift Values>> N :: 120.73(4.2) G132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.84 P 0.05 A 0.04 L 0.03 N 0.01 C Shift Assignments>> C :: 175.4 CA :: 47.5 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.72 HA2 :: 4.05 HA3 :: 3.89 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.8 Ave N Shift Values>> N :: 109.91(4.29) D133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 N 0.29 L 0.12 F 0.09 Y 0.09 K 0.03 HN Overlap>> F21 C Shift Assignments>> C :: 177.6 CA :: 53.6 CB :: 40.1 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 :: 4.49 HB2 :: 3.01 HB3 :: 2.53 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 :: 121.1 Ave N Shift Values>> N :: 120.73(4.2) G134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.89 L 0.07 R 0.01 C Shift Assignments>> C :: 172.8 CA :: 45.9 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 10.33 HA2 :: 4.11 HA3 :: 3.52 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.7 Ave N Shift Values>> N :: 109.91(4.29) Q135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.77 E 0.17 N 0.05 C Shift Assignments>> C :: 174.9 CA :: 53.6 CB :: 33.1 CG :: 32.5 CD :: 178.7 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 :: 7.97 HA :: 4.95 HB2 :: 2.00 HB3 :: 2.00 HG2 :: 2.14 HG3 :: 1.74 HE21 :: 6.44 HE22 :: 5.90 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 :: 114.9 NE2 :: 108.6 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) V136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.98 C Shift Assignments>> C :: 175.8 CA :: 62.0 CB :: 34.1 CG1 :: 23.7 CG2 :: 21.6 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 :: 9.14 HA :: 5.27 HB :: 2.40 HG1 :: 1.25 HG2 :: 1.17 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 :: 125.8 Ave N Shift Values>> N :: 121.02(4.96) N137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.87 D 0.12 C Shift Assignments>> C :: 174.7 CA :: 51.1 CB :: 38.6 CG :: 175.5 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 :: 9.68 HA :: 5.38 HB2 :: 3.25 HB3 :: 3.25 HD21 :: 7.21 HD22 :: 6.86 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 :: 129.3 ND2 :: 108.3 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) Y138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 176.1 CA :: 62.4 CB :: 37.9 CD1 :: 132.5 CD2 :: 132.5 CE1 :: 118.0 CE2 :: 118.0 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 :: 8.26 HA :: 3.28 HB2 :: 2.38 HB3 :: 2.02 HD1 :: 6.41 HD2 :: 6.41 HE1 :: 6.59 HE2 :: 6.59 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 :: 118.8 Ave N Shift Values>> N :: 120.79(4.69) E139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.54 E 0.37 K 0.05 C Shift Assignments>> C :: 180.0 CA :: 60.2 CB :: 29.0 CG :: 36.9 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 :: 7.99 HA :: 3.65 HB2 :: 2.09 HB3 :: 1.97 HG2 :: 2.35 HG3 :: 2.29 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 :: 118.4 Ave N Shift Values>> N :: 120.68(3.68) E140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.51 I 0.38 K 0.06 M 0.02 C Shift Assignments>> C :: 179.0 CA :: 58.9 CB :: 29.5 CG :: 37.2 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 :: 8.67 HA :: 3.86 HB2 :: 2.55 HB3 :: 2.29 HG2 :: 2.91 HG3 :: 2.39 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 :: 119.8 Ave N Shift Values>> N :: 120.68(3.68) F141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 HN Overlap>> K115 C Shift Assignments>> C :: 176.7 CA :: 61.8 CB :: 40.5 CD1 :: 131.9 CD2 :: 131.9 CE1 :: 131.7 CE2 :: 131.7 CZ :: 129.3 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 :: 8.46 HA :: 3.62 HB2 :: 3.22 HB3 :: 3.00 HD1 :: 6.70 HD2 :: 6.70 HE1 :: 7.20 HE2 :: 7.20 HZ :: 7.05 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 :: 123.5 Ave N Shift Values>> N :: 120.69(4.18) V142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> R37 C Shift Assignments>> C :: 180.8 CA :: 66.7 CB :: 31.4 CG1 :: 21.3 CG2 :: 23.2 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 :: 8.66 HA :: 3.13 HB :: 1.71 HG1 :: 0.71 HG2 :: 0.47 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 :: 118.7 Ave N Shift Values>> N :: 121.02(4.96) Q143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.72 E 0.27 C Shift Assignments>> C :: 177.8 CA :: 58.9 CB :: 28.1 CG :: 34.1 CD :: 179.7 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 :: 7.78 HA :: 3.79 HB2 :: 2.03 HB3 :: 2.03 HG2 :: 2.39 HG3 :: 2.39 HE21 :: 7.41 HE22 :: 6.72 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 :: 119.5 NE2 :: 111.6 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) M144 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.92 A 0.04 I 0.03 C Shift Assignments>> C :: 177.1 CA :: 57.9 CB :: 32.2 CG :: 29.3 CE :: 15.7 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 :: 7.11 HA :: 3.48 HB2 :: 1.42 HB3 :: 1.27 HG2 :: 1.01(S) HG3 :: 0.86(S) HE :: 0.41 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 :: 117.8 Ave N Shift Values>> N :: 120.1(3.88) M145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.64 A 0.35 C Shift Assignments>> C :: 177.4 CA :: 55.2 CB :: 32.1 CG :: 32.5 CE :: 18.0 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 :: 7.45 HA :: 4.13 HB2 :: 1.79 HB3 :: 1.66 HG2 :: 1.83 HG3 :: 1.83 HE :: 1.66 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 :: 114.0 Ave N Shift Values>> N :: 120.1(3.88) T146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.1 CA :: 61.9 CB :: 70.0 CG2 :: 21.5 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 :: 7.55 HA :: 4.32 HB :: 4.28 HG2 :: 1.15 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 :: 110.0 Ave N Shift Values>> N :: 115.7(5.05) A147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.73 M 0.25 C Shift Assignments>> C :: 176.7 CA :: 53.0 CB :: 19.0 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.54 HA :: 4.33 HB :: 1.52 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.9 Ave N Shift Values>> N :: 123.23(3.7) K148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.67 R 0.27 M 0.03 G 0.01 C Shift Assignments>> CA :: 57.6 CB :: 34.0 CG :: 24.7 CD :: 29.2 CE :: 42.1 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 :: 7.84 HA :: 4.21 HB2 :: 1.86 HB3 :: 1.73 HG2 :: 1.43 HG3 :: 1.43 HD2 :: 1.70 HD3 :: 1.70 HE2 :: 3.03 HE3 :: 3.03 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 :: 126.0 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 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 H3 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> H 0.53 W 0.46 C Shift Assignments>> C :: 174.5(D) CA :: 55.9(D) CB :: 30.2(D) CD2 :: 119.7(D) 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>> HA :: 4.71(D) HB2 :: 3.22(D) HB3 :: 3.16(D) HD2 :: 7.14(D) 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) K4 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.63 R 0.28 M 0.05 G 0.01 C Shift Assignments>> C :: 176.3(D) CA :: 55.9(D) CB :: 33.1(D) CG :: 24.5(D) CD :: 28.9(D) CE :: 42.2(D) 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 :: 8.32(D) HA :: 4.31(D) HB2 :: 1.85(D) HB3 :: 1.85(D) HG2 :: 1.45(D) HG3 :: 1.45(D) HD2 :: 1.72(D) HD3 :: 1.72(D) HE2 :: 3.04(D) HE3 :: 3.04(D) 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 :: 123.8(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) K5 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.53 R 0.42 M 0.03 G 0.01 C Shift Assignments>> C :: 177.3(D) CA :: 56.5(D) CB :: 34.5(D) CG :: 25.7(D) CD :: 29.8(D) CE :: 42.0(D) 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 :: 8.42(D) HA :: 4.46(D) HB2 :: 1.85(D) HB3 :: 1.68(D) HG2 :: 1.49(D) HG3 :: 1.49(D) HD2 :: 1.69(D) HD3 :: 1.69(D) HE2 :: 2.97(D) HE3 :: 2.97(D) 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 :: 124.2(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) T6 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 175.2(D) CA :: 61.2(D) CB :: 70.9(D) CG2 :: 22.0(D) 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 :: 8.65(D) HA :: 4.44(D) HB :: 4.65(D) HG2 :: 1.37(D) 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 :: 114.3(D) Ave N Shift Values>> N :: 115.7(5.05) D7 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.31 Y 0.31 D 0.1 I 0.09 L 0.08 N 0.03 K 0.03 E 0.01 C Shift Assignments>> C :: 178.6(D) CA :: 57.4(D) CB :: 39.7(D) 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 :: 8.76(D) HA :: 4.33(D) HB2 :: 2.71(D) HB3 :: 2.64(D) 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 :: 121.3(D) Ave N Shift Values>> N :: 120.73(4.2) S8 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 HN Overlap>> D58 C Shift Assignments>> C :: 176.3(D) CA :: 61.5(D) CB :: 62.6(D) Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.31(D) HA :: 4.25(D) HB2 :: 3.90(D) HB3 :: 3.90(D) 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 :: 114.0(D) Ave N Shift Values>> N :: 116.3(3.95) E9 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.47 I 0.45 M 0.03 K 0.03 C Shift Assignments>> C :: 179.5(D) CA :: 59.8(D) CB :: 30.2(D) CG :: 37.3(D) 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 :: 7.68(D) HA :: 4.06(D) HB2 :: 2.07(D) HB3 :: 2.07(D) HG2 :: 2.46(D) HG3 :: 2.33(D) 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 :: 122.8(D) Ave N Shift Values>> N :: 120.68(3.68) V10 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.99 C Shift Assignments>> C :: 178.4(D) CA :: 66.4(D) CB :: 32.2(D) CG1 :: 23.1(D) CG2 :: 21.8(D) 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 :: 8.16(D) HA :: 3.78(D) HB :: 2.26(D) HG1 :: 1.10(D) HG2 :: 1.13(D) 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 :: 120.5(D) Ave N Shift Values>> N :: 121.02(4.96) Q11 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.68 E 0.31 HN Overlap>> F89 T16 C Shift Assignments>> C :: 178.3(D) CA :: 60.0(D) CB :: 28.5(D) CG :: 34.7(D) CD :: 177.7(D) 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 :: 8.43(D) HA :: 3.93(D) HB2 :: 1.76(D) HB3 :: 1.76(D) HG2 :: 2.58(D) HG3 :: 2.58(D) HE21 :: 6.62(D) HE22 :: 6.56(D) 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 :: 118.2(D) NE2 :: 107.8(D) Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) L12 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.88 R 0.09 C Shift Assignments>> C :: 180.1(D) CA :: 58.3(D) CB :: 41.6(D) CG :: 27.2(D) CD1 :: 25.0(D) CD2 :: 23.6(D) 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 :: 8.28(D) HA :: 4.17(D) HB2 :: 1.90(D) HB3 :: 1.82(D) HG :: 1.77(D) HD1 :: 1.03(D) HD2 :: 1.01(D) 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 :: 119.1(D) Ave N Shift Values>> N :: 121.98(4.07) E13 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.46 I 0.39 K 0.08 M 0.03 Q 0.03 HN Overlap>> R86 C Shift Assignments>> C :: 180.1(D) CA :: 60.2(D) CB :: 29.6(D) CG :: 36.3(D) 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 :: 8.30(D) HA :: 4.16(D) HB2 :: 2.26(D) HB3 :: 2.26(D) HG2 :: 2.58(D) HG3 :: 2.37(D) 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 :: 121.6(D) Ave N Shift Values>> N :: 120.68(3.68) M14 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.84 A 0.15 HN Overlap>> F89 C Shift Assignments>> C :: 179.1(D) CA :: 57.4(D) CB :: 33.5(D) CG :: 34.0(D) CE :: 19.4(D) 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 :: 8.54(D) HA :: 4.72(D) HB2 :: 3.01(D) HB3 :: 2.83(D) HG2 :: 3.08(D) HG3 :: 3.08(D) HE :: 2.09(D) 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 :: 118.1(D) Ave N Shift Values>> N :: 120.1(3.88) I15 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.99 C Shift Assignments>> C :: 178.1(D) CA :: 64.0(D) CB :: 36.6(D) CG1 :: 28.6(D) CG2 :: 18.4(D) CD1 :: 13.0(D) 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(D) HA :: 4.15(D) HB :: 2.27(D) HG2 :: 1.02(D) HG12 :: 1.71(D) HG13 :: 1.71(D) HD1 :: 0.84(D) 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 :: 120.5(D) Ave N Shift Values>> N :: 121.6(4.72) T16 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 HN Overlap>> F89 Q11 C Shift Assignments>> C :: 176.5(D) CA :: 67.6(D) CB :: 68.7(D) CG2 :: 21.3(D) 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 :: 8.47(D) HA :: 3.94(D) HB :: 4.44(D) HG2 :: 1.33(D) 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 :: 118.2(D) Ave N Shift Values>> N :: 115.7(5.05) A17 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.57 A 0.36 I 0.04 V 0.01 HN Overlap>> L116 C Shift Assignments>> C :: 179.7(D) CA :: 55.4(D) CB :: 18.6(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.90(D) HA :: 4.23(D) HB :: 1.62(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.2(D) Ave N Shift Values>> N :: 123.23(3.7) W18 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.99 C Shift Assignments>> C :: 179.7(D) CA :: 59.2(D) CB :: 29.7(D) CD1 :: 124.9(D) CE3 :: 119.7(D) CZ2 :: 113.4(D) CZ3 :: 121.1(D) CH2 :: 122.8(D) Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 8.74(D) HA :: 4.61(D) HB2 :: 3.44(D) HB3 :: 3.44(D) HD1 :: 7.64(D) HE1 :: 9.95(D) HE3 :: 7.11(D) HZ2 :: 7.24(D) HZ3 :: 6.54(D) HH2 :: 6.87(D) 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) N Shift Assignments>> N :: 124.3(D) NE1 :: 128.1(D) Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) K19 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.65 R 0.3 M 0.02 C Shift Assignments>> C :: 179.6(D) CA :: 60.7(D) CB :: 32.6(D) CG :: 25.8(D) CD :: 30.0(D) CE :: 41.5(D) 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 :: 8.94(D) HA :: 4.04(D) HB2 :: 2.06(D) HB3 :: 2.02(D) HG2 :: 1.83(D) HG3 :: 1.51(D) HD2 :: 1.69(D) HD3 :: 1.69(D) HE2 :: 2.87(D) HE3 :: 2.87(D) 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 :: 119.2(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) K20 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.63 R 0.31 M 0.03 G 0.01 HN Overlap>> M76 C Shift Assignments>> C :: 178.0(D) CA :: 59.4(D) CB :: 32.2(D) CG :: 24.9(D) CD :: 29.2(D) CE :: 42.2(D) 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 :: 8.14(D) HA :: 4.15(D) HB2 :: 2.01(D) HB3 :: 2.01(D) HG2 :: 1.52(D) HG3 :: 1.52(D) HD2 :: 1.74(D) HD3 :: 1.66(D) HE2 :: 3.01(D) HE3 :: 3.01(D) 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 :: 120.3(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) F21 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.59 F 0.4 HN Overlap>> D133 C Shift Assignments>> C :: 177.7(D) CA :: 61.1(D) CB :: 38.7(D) CD1 :: 132.6(D) CD2 :: 132.6 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 :: 8.34(D) HA :: 4.24(D) HB2 :: 3.46(D) HB3 :: 3.20(D) HD1 :: 7.29(D) HD2 :: 7.29(D) HE1 :: 7.23(D) HE2 :: 7.23(D) HZ :: 7.11(D) 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 :: 121.1(D) Ave N Shift Values>> N :: 120.69(4.18) V22 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.99 C Shift Assignments>> C :: 177.4(D) CA :: 66.8(D) CB :: 31.9(D) CG1 :: 24.6(D) CG2 :: 21.9(D) 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 :: 8.14(D) HA :: 3.47(D) HB :: 2.41(D) HG1 :: 1.47(D) HG2 :: 1.04(D) 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 :: 118.4(D) Ave N Shift Values>> N :: 121.02(4.96) E23 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.51 I 0.29 K 0.1 M 0.04 Q 0.03 HN Overlap>> D122 C Shift Assignments>> C :: 179.3(D) CA :: 59.3(D) CB :: 29.6(D) CG :: 36.4(D) 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 :: 8.21(D) HA :: 3.97(D) HB2 :: 2.21(D) HB3 :: 2.17(D) HG2 :: 2.44(D) HG3 :: 2.32(D) 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 :: 119.2(D) Ave N Shift Values>> N :: 120.68(3.68) E24 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.53 I 0.25 K 0.11 M 0.04 Q 0.03 C Shift Assignments>> C :: 178.9(D) CA :: 58.6(D) CB :: 29.4(D) CG :: 36.5(D) 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 :: 8.05(D) HA :: 4.01(D) HB2 :: 2.10(D) HB3 :: 2.05(D) HG2 :: 2.45(D) HG3 :: 2.30(D) 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 :: 117.9(D) Ave N Shift Values>> N :: 120.68(3.68) K25 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.56 R 0.37 M 0.04 C Shift Assignments>> C :: 178.1(D) CA :: 57.4(D) CB :: 32.1(D) CG :: 24.3(D) CD :: 28.5(D) CE :: 41.9(D) 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 :: 7.67(D) HA :: 3.98(D) HB2 :: 1.72(D) HB3 :: 1.72(D) HG2 :: 1.29(D) HG3 :: 1.29(D) HD2 :: 1.52(D) HD3 :: 1.52(D) HE2 :: 2.99(D) HE3 :: 2.92(D) 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 :: 118.9(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) K26 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.61 R 0.31 M 0.05 G 0.01 HN Overlap>> I52 C Shift Assignments>> C :: 176.9(D) CA :: 57.2(D) CB :: 32.7(D) CG :: 25.1(D) CD :: 29.4(D) CE :: 42.0(D) 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 :: 7.67(D) HA :: 4.21(D) HB2 :: 1.92(D) HB3 :: 1.83(D) HG2 :: 1.46(D) HG3 :: 1.46(D) HD2 :: 1.64(D) HD3 :: 1.64(D) HE2 :: 2.94(D) HE3 :: 2.94(D) 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 :: 117.9(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) K27 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.61 R 0.31 M 0.05 G 0.01 HN Overlap>> E120 C Shift Assignments>> CA :: 56.8(D) CB :: 32.6(D) CG :: 24.9(D) CD :: 29.3(D) CE :: 42.2(D) 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 :: 7.64(D) HA :: 4.29(D) HB2 :: 1.93(D) HB3 :: 1.85(D) HG2 :: 1.54(D) HG3 :: 1.46(D) HD2 :: 1.72(D) HD3 :: 1.72(D) HE2 :: 3.04(D) HE3 :: 3.04(D) 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 :: 120.9(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) K28 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.58 R 0.35 M 0.02 G 0.02 C Shift Assignments>> CA :: 57.4(D) CB :: 33.6(D) CG :: 25.2(D) CD :: 29.2(D) CE :: 42.4(D) 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 :: 7.74(D) HA :: 4.18(D) HB2 :: 1.86(D) HB3 :: 1.75(D) HG2 :: 1.46(D) HG3 :: 1.46(D) HD2 :: 1.71(D) HD3 :: 1.71(D) HE2 :: 3.04(D) HE3 :: 3.04(D) 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 :: 127.5(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) ########################################################################### Overall Results: #Consistent: 145 #Clerical: 26 #Suspicious: 4 #Anomalous: 1 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 174 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 2 Shift Relative Order (SRO) Results: #Consistent: 176 #Suspicious: 0 C Shift Results: #Consistent: 653 #Duplicate: 127 #Unknown: 0 #Suspicious: 0 #Anomalous: 1 H Shift Results: #Consistent: 853 #Duplicate: 185 #Unknown: 0 #Suspicious: 6 #Anomalous: 0 N Shift Results: #Consistent: 156 #Duplicate: 27 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: D20 HB3 = 1.66(S), Expected = 2.70, Std = 0.2900, ChiSquare = 3.3552e-04 E67 HG2 = 3.04(S), Expected = 2.31, Std = 0.2100, ChiSquare = 5.0859e-04 E67 HG3 = 3.04(S), Expected = 2.31, Std = 0.2100, ChiSquare = 5.0859e-04 D93 HB3 = 1.47(S), Expected = 2.70, Std = 0.2900, ChiSquare = 2.2215e-05 N97 CG = 179.9(M), Expected = 176.61, Std = 1.3300, ChiSquare = 1.3373e-02 M144 HG2 = 1.01(S), Expected = 2.44, Std = 0.3600, ChiSquare = 7.1205e-05 M144 HG3 = 0.86(S), Expected = 2.41, Std = 0.4000, ChiSquare = 1.0662e-04 H3 C = 174.5(D), Expected = 175.19, Std = 2.1400, ChiSquare = 7.4713e-01 H3 CA = 55.9(D), Expected = 56.37, Std = 2.4000, ChiSquare = 8.4474e-01 H3 CB = 30.2(D), Expected = 29.95, Std = 2.1500, ChiSquare = 9.0743e-01 H3 CD2 = 119.7(D), Expected = 119.84, Std = 3.3000, ChiSquare = 9.6616e-01 H3 HA = 4.71(D), Expected = 4.62, Std = 0.5100, ChiSquare = 8.5992e-01 H3 HB2 = 3.22(D), Expected = 3.12, Std = 0.4300, ChiSquare = 8.1610e-01 H3 HB3 = 3.16(D), Expected = 3.11, Std = 0.4500, ChiSquare = 9.1153e-01 H3 HD2 = 7.14(D), Expected = 7.08, Std = 0.5000, ChiSquare = 9.0448e-01 K4 C = 176.3(D), Expected = 176.46, Std = 2.0500, ChiSquare = 9.3779e-01 K4 CA = 55.9(D), Expected = 56.84, Std = 2.2500, ChiSquare = 6.7611e-01 K4 CB = 33.1(D), Expected = 32.83, Std = 1.8800, ChiSquare = 8.8580e-01 K4 CG = 24.5(D), Expected = 24.91, Std = 1.3100, ChiSquare = 7.5430e-01 K4 CD = 28.9(D), Expected = 28.78, Std = 1.3900, ChiSquare = 9.3120e-01 K4 CE = 42.2(D), Expected = 41.78, Std = 0.9800, ChiSquare = 6.6823e-01 K4 H = 8.32(D), Expected = 8.22, Std = 0.6400, ChiSquare = 8.7584e-01 K4 HA = 4.31(D), Expected = 4.28, Std = 0.4500, ChiSquare = 9.4685e-01 K4 HB2 = 1.85(D), Expected = 1.79, Std = 0.2500, ChiSquare = 8.1033e-01 K4 HB3 = 1.85(D), Expected = 1.78, Std = 0.2600, ChiSquare = 7.8775e-01 K4 HG2 = 1.45(D), Expected = 1.38, Std = 0.2700, ChiSquare = 7.9544e-01 K4 HG3 = 1.45(D), Expected = 1.37, Std = 0.2900, ChiSquare = 7.8265e-01 K4 HD2 = 1.72(D), Expected = 1.61, Std = 0.2500, ChiSquare = 6.5994e-01 K4 HD3 = 1.72(D), Expected = 1.61, Std = 0.2500, ChiSquare = 6.5994e-01 K4 HE2 = 3.04(D), Expected = 2.93, Std = 0.2000, ChiSquare = 5.8232e-01 K4 HE3 = 3.04(D), Expected = 2.93, Std = 0.2000, ChiSquare = 5.8232e-01 K4 N = 123.8(D), Expected = 121.16, Std = 4.1100, ChiSquare = 5.2066e-01 K5 C = 177.3(D), Expected = 176.46, Std = 2.0500, ChiSquare = 6.8198e-01 K5 CA = 56.5(D), Expected = 56.84, Std = 2.2500, ChiSquare = 8.7989e-01 K5 CB = 34.5(D), Expected = 32.83, Std = 1.8800, ChiSquare = 3.7438e-01 K5 CG = 25.7(D), Expected = 24.91, Std = 1.3100, ChiSquare = 5.4647e-01 K5 CD = 29.8(D), Expected = 28.78, Std = 1.3900, ChiSquare = 4.6306e-01 K5 CE = 42.0(D), Expected = 41.78, Std = 0.9800, ChiSquare = 8.2238e-01 K5 H = 8.42(D), Expected = 8.22, Std = 0.6400, ChiSquare = 7.5466e-01 K5 HA = 4.46(D), Expected = 4.28, Std = 0.4500, ChiSquare = 6.8916e-01 K5 HB2 = 1.85(D), Expected = 1.79, Std = 0.2500, ChiSquare = 8.1033e-01 K5 HB3 = 1.68(D), Expected = 1.78, Std = 0.2600, ChiSquare = 7.0052e-01 K5 HG2 = 1.49(D), Expected = 1.38, Std = 0.2700, ChiSquare = 6.8371e-01 K5 HG3 = 1.49(D), Expected = 1.37, Std = 0.2900, ChiSquare = 6.7903e-01 K5 HD2 = 1.69(D), Expected = 1.61, Std = 0.2500, ChiSquare = 7.4897e-01 K5 HD3 = 1.69(D), Expected = 1.61, Std = 0.2500, ChiSquare = 7.4897e-01 K5 HE2 = 2.97(D), Expected = 2.93, Std = 0.2000, ChiSquare = 8.4148e-01 K5 HE3 = 2.97(D), Expected = 2.93, Std = 0.2000, ChiSquare = 8.4148e-01 K5 N = 124.2(D), Expected = 121.16, Std = 4.1100, ChiSquare = 4.5951e-01 T6 C = 175.2(D), Expected = 174.60, Std = 1.8000, ChiSquare = 7.3888e-01 T6 CA = 61.2(D), Expected = 62.15, Std = 2.7200, ChiSquare = 7.2689e-01 T6 CB = 70.9(D), Expected = 69.64, Std = 1.7000, ChiSquare = 4.5859e-01 T6 CG2 = 22.0(D), Expected = 21.44, Std = 1.3900, ChiSquare = 6.8704e-01 T6 H = 8.65(D), Expected = 8.27, Std = 0.6200, ChiSquare = 5.3994e-01 T6 HA = 4.44(D), Expected = 4.48, Std = 0.5000, ChiSquare = 9.3624e-01 T6 HB = 4.65(D), Expected = 4.17, Std = 0.3700, ChiSquare = 1.9453e-01 T6 HG2 = 1.37(D), Expected = 1.16, Std = 0.2800, ChiSquare = 4.5325e-01 T6 N = 114.3(D), Expected = 115.70, Std = 5.0500, ChiSquare = 7.8161e-01 D7 C = 178.6(D), Expected = 176.41, Std = 1.7700, ChiSquare = 2.1598e-01 D7 CA = 57.4(D), Expected = 54.52, Std = 2.1000, ChiSquare = 1.7024e-01 D7 CB = 39.7(D), Expected = 40.70, Std = 1.6700, ChiSquare = 5.4930e-01 D7 H = 8.76(D), Expected = 8.33, Std = 0.5700, ChiSquare = 4.5062e-01 D7 HA = 4.33(D), Expected = 4.61, Std = 0.3100, ChiSquare = 3.6641e-01 D7 HB2 = 2.71(D), Expected = 2.74, Std = 0.2900, ChiSquare = 9.1761e-01 D7 HB3 = 2.64(D), Expected = 2.70, Std = 0.2900, ChiSquare = 8.3609e-01 D7 N = 121.3(D), Expected = 120.73, Std = 4.2000, ChiSquare = 8.9205e-01 S8 C = 176.3(D), Expected = 174.53, Std = 1.7300, ChiSquare = 3.0625e-01 S8 CA = 61.5(D), Expected = 58.57, Std = 2.1200, ChiSquare = 1.6695e-01 S8 CB = 62.6(D), Expected = 63.80, Std = 1.5700, ChiSquare = 4.4467e-01 S8 H = 8.31(D), Expected = 8.29, Std = 0.6200, ChiSquare = 9.7427e-01 S8 HA = 4.25(D), Expected = 4.51, Std = 0.4300, ChiSquare = 5.4541e-01 S8 HB2 = 3.90(D), Expected = 3.88, Std = 0.2900, ChiSquare = 9.4502e-01 S8 HB3 = 3.90(D), Expected = 3.87, Std = 0.3100, ChiSquare = 9.2291e-01 S8 N = 114.0(D), Expected = 116.30, Std = 3.9500, ChiSquare = 5.6038e-01 E9 C = 179.5(D), Expected = 176.93, Std = 2.1100, ChiSquare = 2.2322e-01 E9 CA = 59.8(D), Expected = 57.42, Std = 2.1900, ChiSquare = 2.7714e-01 E9 CB = 30.2(D), Expected = 30.07, Std = 1.8400, ChiSquare = 9.4367e-01 E9 CG = 37.3(D), Expected = 36.01, Std = 1.5100, ChiSquare = 3.9294e-01 E9 H = 7.68(D), Expected = 8.34, Std = 0.6100, ChiSquare = 2.7927e-01 E9 HA = 4.06(D), Expected = 4.26, Std = 0.4300, ChiSquare = 6.4185e-01 E9 HB2 = 2.07(D), Expected = 2.04, Std = 0.2200, ChiSquare = 8.9153e-01 E9 HB3 = 2.07(D), Expected = 2.04, Std = 0.2300, ChiSquare = 8.9622e-01 E9 HG2 = 2.46(D), Expected = 2.31, Std = 0.2100, ChiSquare = 4.7505e-01 E9 HG3 = 2.33(D), Expected = 2.31, Std = 0.2100, ChiSquare = 9.2413e-01 E9 N = 122.8(D), Expected = 120.68, Std = 3.6800, ChiSquare = 5.6456e-01 V10 C = 178.4(D), Expected = 175.69, Std = 2.0300, ChiSquare = 1.8188e-01 V10 CA = 66.4(D), Expected = 62.48, Std = 3.0400, ChiSquare = 1.9723e-01 V10 CB = 32.2(D), Expected = 32.66, Std = 1.9100, ChiSquare = 8.0968e-01 V10 CG1 = 23.1(D), Expected = 21.38, Std = 1.5300, ChiSquare = 2.6094e-01 V10 CG2 = 21.8(D), Expected = 21.31, Std = 1.7600, ChiSquare = 7.8070e-01 V10 H = 8.16(D), Expected = 8.29, Std = 0.7100, ChiSquare = 8.5472e-01 V10 HA = 3.78(D), Expected = 4.16, Std = 0.5700, ChiSquare = 5.0499e-01 V10 HB = 2.26(D), Expected = 1.99, Std = 0.3300, ChiSquare = 4.1325e-01 V10 HG1 = 1.10(D), Expected = 0.84, Std = 0.2700, ChiSquare = 3.3557e-01 V10 HG2 = 1.13(D), Expected = 0.83, Std = 0.2900, ChiSquare = 3.0091e-01 V10 N = 120.5(D), Expected = 121.02, Std = 4.9600, ChiSquare = 9.1650e-01 Q11 C = 178.3(D), Expected = 176.39, Std = 1.9600, ChiSquare = 3.2981e-01 Q11 CA = 60.0(D), Expected = 56.62, Std = 2.1900, ChiSquare = 1.2274e-01 Q11 CB = 28.5(D), Expected = 29.10, Std = 1.9700, ChiSquare = 7.6069e-01 Q11 CG = 34.7(D), Expected = 33.72, Std = 1.1000, ChiSquare = 3.7298e-01 Q11 CD = 177.7(D), Expected = 179.68, Std = 1.1700, ChiSquare = 9.0587e-02 Q11 H = 8.43(D), Expected = 8.22, Std = 0.6200, ChiSquare = 7.3483e-01 Q11 HA = 3.93(D), Expected = 4.28, Std = 0.4400, ChiSquare = 4.2635e-01 Q11 HB2 = 1.76(D), Expected = 2.05, Std = 0.2800, ChiSquare = 3.0034e-01 Q11 HB3 = 1.76(D), Expected = 2.04, Std = 0.2900, ChiSquare = 3.3429e-01 Q11 HG2 = 2.58(D), Expected = 2.32, Std = 0.2900, ChiSquare = 3.6996e-01 Q11 HG3 = 2.58(D), Expected = 2.32, Std = 0.2900, ChiSquare = 3.6996e-01 Q11 HE21 = 6.62(D), Expected = 7.17, Std = 0.4600, ChiSquare = 2.3183e-01 Q11 HE22 = 6.56(D), Expected = 7.07, Std = 0.4900, ChiSquare = 2.9796e-01 Q11 N = 118.2(D), Expected = 119.92, Std = 4.0100, ChiSquare = 6.6798e-01 Q11 NE2 = 107.8(D), Expected = 111.81, Std = 2.2000, ChiSquare = 6.8345e-02 L12 C = 180.1(D), Expected = 176.97, Std = 2.0900, ChiSquare = 1.3424e-01 L12 CA = 58.3(D), Expected = 55.65, Std = 2.2100, ChiSquare = 2.3049e-01 L12 CB = 41.6(D), Expected = 42.37, Std = 1.8600, ChiSquare = 6.7889e-01 L12 CG = 27.2(D), Expected = 26.77, Std = 1.2500, ChiSquare = 7.3085e-01 L12 CD1 = 25.0(D), Expected = 24.73, Std = 1.7100, ChiSquare = 8.7454e-01 L12 CD2 = 23.6(D), Expected = 24.10, Std = 1.7800, ChiSquare = 7.7879e-01 L12 H = 8.28(D), Expected = 8.22, Std = 0.6500, ChiSquare = 9.2645e-01 L12 HA = 4.17(D), Expected = 4.32, Std = 0.4700, ChiSquare = 7.4961e-01 L12 HB2 = 1.90(D), Expected = 1.63, Std = 0.3400, ChiSquare = 4.2713e-01 L12 HB3 = 1.82(D), Expected = 1.57, Std = 0.3600, ChiSquare = 4.8740e-01 L12 HG = 1.77(D), Expected = 1.54, Std = 0.3300, ChiSquare = 4.8582e-01 L12 HD1 = 1.03(D), Expected = 0.77, Std = 0.2700, ChiSquare = 3.3557e-01 L12 HD2 = 1.01(D), Expected = 0.76, Std = 0.2800, ChiSquare = 3.7193e-01 L12 N = 119.1(D), Expected = 121.98, Std = 4.0700, ChiSquare = 4.7918e-01 E13 C = 180.1(D), Expected = 176.93, Std = 2.1100, ChiSquare = 1.3300e-01 E13 CA = 60.2(D), Expected = 57.42, Std = 2.1900, ChiSquare = 2.0430e-01 E13 CB = 29.6(D), Expected = 30.07, Std = 1.8400, ChiSquare = 7.9839e-01 E13 CG = 36.3(D), Expected = 36.01, Std = 1.5100, ChiSquare = 8.4770e-01 E13 H = 8.30(D), Expected = 8.34, Std = 0.6100, ChiSquare = 9.4772e-01 E13 HA = 4.16(D), Expected = 4.26, Std = 0.4300, ChiSquare = 8.1610e-01 E13 HB2 = 2.26(D), Expected = 2.04, Std = 0.2200, ChiSquare = 3.1731e-01 E13 HB3 = 2.26(D), Expected = 2.04, Std = 0.2300, ChiSquare = 3.3881e-01 E13 HG2 = 2.58(D), Expected = 2.31, Std = 0.2100, ChiSquare = 1.9854e-01 E13 HG3 = 2.37(D), Expected = 2.31, Std = 0.2100, ChiSquare = 7.7510e-01 E13 N = 121.6(D), Expected = 120.68, Std = 3.6800, ChiSquare = 8.0259e-01 M14 C = 179.1(D), Expected = 176.30, Std = 2.1300, ChiSquare = 1.8866e-01 M14 CA = 57.4(D), Expected = 56.16, Std = 2.3400, ChiSquare = 5.9617e-01 M14 CB = 33.5(D), Expected = 32.90, Std = 2.2300, ChiSquare = 7.8788e-01 M14 CG = 34.0(D), Expected = 32.07, Std = 1.4500, ChiSquare = 1.8318e-01 M14 CE = 19.4(D), Expected = 17.21, Std = 3.4200, ChiSquare = 5.2194e-01 M14 H = 8.54(D), Expected = 8.26, Std = 0.6000, ChiSquare = 6.4074e-01 M14 HA = 4.72(D), Expected = 4.39, Std = 0.4600, ChiSquare = 4.7313e-01 M14 HB2 = 3.01(D), Expected = 2.03, Std = 0.3800, ChiSquare = 9.9102e-03 M14 HB3 = 2.83(D), Expected = 2.01, Std = 0.3600, ChiSquare = 2.2740e-02 M14 HG2 = 3.08(D), Expected = 2.44, Std = 0.3600, ChiSquare = 7.5440e-02 M14 HG3 = 3.08(D), Expected = 2.41, Std = 0.4000, ChiSquare = 9.3934e-02 M14 HE = 2.09(D), Expected = 1.86, Std = 0.4700, ChiSquare = 6.2459e-01 M14 N = 118.1(D), Expected = 120.10, Std = 3.8800, ChiSquare = 6.0623e-01 I15 C = 178.1(D), Expected = 175.82, Std = 1.9500, ChiSquare = 2.4231e-01 I15 CA = 64.0(D), Expected = 61.59, Std = 2.7800, ChiSquare = 3.8599e-01 I15 CB = 36.6(D), Expected = 38.58, Std = 2.0900, ChiSquare = 3.4345e-01 I15 CG1 = 28.6(D), Expected = 27.65, Std = 2.3200, ChiSquare = 6.8219e-01 I15 CG2 = 18.4(D), Expected = 17.36, Std = 1.6000, ChiSquare = 5.1569e-01 I15 CD1 = 13.0(D), Expected = 13.41, Std = 1.9100, ChiSquare = 8.3003e-01 I15 H = 8.96(D), Expected = 8.26, Std = 0.7100, ChiSquare = 3.2417e-01 I15 HA = 4.15(D), Expected = 4.20, Std = 0.5600, ChiSquare = 9.2886e-01 I15 HB = 2.27(D), Expected = 1.80, Std = 0.3100, ChiSquare = 1.2949e-01 I15 HG2 = 1.02(D), Expected = 0.80, Std = 0.2900, ChiSquare = 4.4808e-01 I15 HG12 = 1.71(D), Expected = 1.30, Std = 0.4000, ChiSquare = 3.0536e-01 I15 HG13 = 1.71(D), Expected = 1.24, Std = 0.4000, ChiSquare = 2.3999e-01 I15 HD1 = 0.84(D), Expected = 0.70, Std = 0.3000, ChiSquare = 6.4074e-01 I15 N = 120.5(D), Expected = 121.60, Std = 4.7200, ChiSquare = 8.1572e-01 T16 C = 176.5(D), Expected = 174.60, Std = 1.8000, ChiSquare = 2.9117e-01 T16 CA = 67.6(D), Expected = 62.15, Std = 2.7200, ChiSquare = 4.5105e-02 T16 CB = 68.7(D), Expected = 69.64, Std = 1.7000, ChiSquare = 5.8030e-01 T16 CG2 = 21.3(D), Expected = 21.44, Std = 1.3900, ChiSquare = 9.1977e-01 T16 H = 8.47(D), Expected = 8.27, Std = 0.6200, ChiSquare = 7.4701e-01 T16 HA = 3.94(D), Expected = 4.48, Std = 0.5000, ChiSquare = 2.8014e-01 T16 HB = 4.44(D), Expected = 4.17, Std = 0.3700, ChiSquare = 4.6556e-01 T16 HG2 = 1.33(D), Expected = 1.16, Std = 0.2800, ChiSquare = 5.4376e-01 T16 N = 118.2(D), Expected = 115.70, Std = 5.0500, ChiSquare = 6.2056e-01 A17 C = 179.7(D), Expected = 177.80, Std = 2.1800, ChiSquare = 3.8345e-01 A17 CA = 55.4(D), Expected = 53.16, Std = 2.0600, ChiSquare = 2.7687e-01 A17 CB = 18.6(D), Expected = 18.90, Std = 1.8500, ChiSquare = 8.7118e-01 A17 H = 7.90(D), Expected = 8.20, Std = 0.6000, ChiSquare = 6.1707e-01 A17 HA = 4.23(D), Expected = 4.26, Std = 0.4200, ChiSquare = 9.4306e-01 A17 HB = 1.62(D), Expected = 1.38, Std = 0.2500, ChiSquare = 3.3706e-01 A17 N = 124.2(D), Expected = 123.23, Std = 3.7000, ChiSquare = 7.9320e-01 W18 C = 179.7(D), Expected = 176.10, Std = 1.8900, ChiSquare = 5.6811e-02 W18 CA = 59.2(D), Expected = 57.71, Std = 2.6500, ChiSquare = 5.7394e-01 W18 CB = 29.7(D), Expected = 30.16, Std = 2.1900, ChiSquare = 8.3363e-01 W18 CD1 = 124.9(D), Expected = 126.16, Std = 1.7600, ChiSquare = 4.7405e-01 W18 CE3 = 119.7(D), Expected = 120.38, Std = 1.5000, ChiSquare = 6.5031e-01 W18 CZ2 = 113.4(D), Expected = 114.19, Std = 1.0900, ChiSquare = 4.6859e-01 W18 CZ3 = 121.1(D), Expected = 121.57, Std = 1.7600, ChiSquare = 7.8943e-01 W18 CH2 = 122.8(D), Expected = 123.75, Std = 1.3400, ChiSquare = 4.7835e-01 W18 H = 8.74(D), Expected = 8.35, Std = 0.8400, ChiSquare = 6.4244e-01 W18 HA = 4.61(D), Expected = 4.74, Std = 0.5500, ChiSquare = 8.1315e-01 W18 HB2 = 3.44(D), Expected = 3.22, Std = 0.3600, ChiSquare = 5.4113e-01 W18 HB3 = 3.44(D), Expected = 3.18, Std = 0.3600, ChiSquare = 4.7016e-01 W18 HD1 = 7.64(D), Expected = 7.16, Std = 0.3400, ChiSquare = 1.5802e-01 W18 HE1 = 9.95(D), Expected = 10.13, Std = 0.5300, ChiSquare = 7.3414e-01 W18 HE3 = 7.11(D), Expected = 7.17, Std = 1.0300, ChiSquare = 9.5355e-01 W18 HZ2 = 7.24(D), Expected = 7.14, Std = 0.8900, ChiSquare = 9.1054e-01 W18 HZ3 = 6.54(D), Expected = 6.68, Std = 1.0200, ChiSquare = 8.9083e-01 W18 HH2 = 6.87(D), Expected = 6.82, Std = 0.9400, ChiSquare = 9.5758e-01 W18 N = 124.3(D), Expected = 121.87, Std = 4.5800, ChiSquare = 5.9572e-01 W18 NE1 = 128.1(D), Expected = 129.48, Std = 2.5600, ChiSquare = 5.8984e-01 K19 C = 179.6(D), Expected = 176.46, Std = 2.0500, ChiSquare = 1.2559e-01 K19 CA = 60.7(D), Expected = 56.84, Std = 2.2500, ChiSquare = 8.6243e-02 K19 CB = 32.6(D), Expected = 32.83, Std = 1.8800, ChiSquare = 9.0263e-01 K19 CG = 25.8(D), Expected = 24.91, Std = 1.3100, ChiSquare = 4.9689e-01 K19 CD = 30.0(D), Expected = 28.78, Std = 1.3900, ChiSquare = 3.8011e-01 K19 CE = 41.5(D), Expected = 41.78, Std = 0.9800, ChiSquare = 7.7510e-01 K19 H = 8.94(D), Expected = 8.22, Std = 0.6400, ChiSquare = 2.6059e-01 K19 HA = 4.04(D), Expected = 4.28, Std = 0.4500, ChiSquare = 5.9380e-01 K19 HB2 = 2.06(D), Expected = 1.79, Std = 0.2500, ChiSquare = 2.8014e-01 K19 HB3 = 2.02(D), Expected = 1.78, Std = 0.2600, ChiSquare = 3.5597e-01 K19 HG2 = 1.83(D), Expected = 1.38, Std = 0.2700, ChiSquare = 9.5581e-02 K19 HG3 = 1.51(D), Expected = 1.37, Std = 0.2900, ChiSquare = 6.2927e-01 K19 HD2 = 1.69(D), Expected = 1.61, Std = 0.2500, ChiSquare = 7.4897e-01 K19 HD3 = 1.69(D), Expected = 1.61, Std = 0.2500, ChiSquare = 7.4897e-01 K19 HE2 = 2.87(D), Expected = 2.93, Std = 0.2000, ChiSquare = 7.6418e-01 K19 HE3 = 2.87(D), Expected = 2.93, Std = 0.2000, ChiSquare = 7.6418e-01 K19 N = 119.2(D), Expected = 121.16, Std = 4.1100, ChiSquare = 6.3344e-01 K20 C = 178.0(D), Expected = 176.46, Std = 2.0500, ChiSquare = 4.5252e-01 K20 CA = 59.4(D), Expected = 56.84, Std = 2.2500, ChiSquare = 2.5521e-01 K20 CB = 32.2(D), Expected = 32.83, Std = 1.8800, ChiSquare = 7.3754e-01 K20 CG = 24.9(D), Expected = 24.91, Std = 1.3100, ChiSquare = 9.9391e-01 K20 CD = 29.2(D), Expected = 28.78, Std = 1.3900, ChiSquare = 7.6253e-01 K20 CE = 42.2(D), Expected = 41.78, Std = 0.9800, ChiSquare = 6.6823e-01 K20 H = 8.14(D), Expected = 8.22, Std = 0.6400, ChiSquare = 9.0052e-01 K20 HA = 4.15(D), Expected = 4.28, Std = 0.4500, ChiSquare = 7.7267e-01 K20 HB2 = 2.01(D), Expected = 1.79, Std = 0.2500, ChiSquare = 3.7886e-01 K20 HB3 = 2.01(D), Expected = 1.78, Std = 0.2600, ChiSquare = 3.7636e-01 K20 HG2 = 1.52(D), Expected = 1.38, Std = 0.2700, ChiSquare = 6.0410e-01 K20 HG3 = 1.52(D), Expected = 1.37, Std = 0.2900, ChiSquare = 6.0499e-01 K20 HD2 = 1.74(D), Expected = 1.61, Std = 0.2500, ChiSquare = 6.0306e-01 K20 HD3 = 1.66(D), Expected = 1.61, Std = 0.2500, ChiSquare = 8.4148e-01 K20 HE2 = 3.01(D), Expected = 2.93, Std = 0.2000, ChiSquare = 6.8916e-01 K20 HE3 = 3.01(D), Expected = 2.93, Std = 0.2000, ChiSquare = 6.8916e-01 K20 N = 120.3(D), Expected = 121.16, Std = 4.1100, ChiSquare = 8.3426e-01 F21 C = 177.7(D), Expected = 175.49, Std = 2.1300, ChiSquare = 2.9948e-01 F21 CA = 61.1(D), Expected = 58.25, Std = 2.7300, ChiSquare = 2.9651e-01 F21 CB = 38.7(D), Expected = 39.95, Std = 2.0400, ChiSquare = 5.4004e-01 F21 CD1 = 132.6(D), Expected = 131.38, Std = 1.3800, ChiSquare = 3.7667e-01 F21 H = 8.34(D), Expected = 8.42, Std = 0.7400, ChiSquare = 9.1391e-01 F21 HA = 4.24(D), Expected = 4.62, Std = 0.5800, ChiSquare = 5.1236e-01 F21 HB2 = 3.46(D), Expected = 2.99, Std = 0.3700, ChiSquare = 2.0399e-01 F21 HB3 = 3.20(D), Expected = 2.97, Std = 0.3800, ChiSquare = 5.4500e-01 F21 HD1 = 7.29(D), Expected = 6.91, Std = 0.8200, ChiSquare = 6.4307e-01 F21 HD2 = 7.29(D), Expected = 6.89, Std = 0.8600, ChiSquare = 6.4185e-01 F21 HE1 = 7.23(D), Expected = 6.95, Std = 0.8200, ChiSquare = 7.3275e-01 F21 HE2 = 7.23(D), Expected = 6.94, Std = 0.8600, ChiSquare = 7.3596e-01 F21 HZ = 7.11(D), Expected = 6.92, Std = 0.8000, ChiSquare = 8.1227e-01 F21 N = 121.1(D), Expected = 120.69, Std = 4.1800, ChiSquare = 9.2186e-01 V22 C = 177.4(D), Expected = 175.69, Std = 2.0300, ChiSquare = 3.9958e-01 V22 CA = 66.8(D), Expected = 62.48, Std = 3.0400, ChiSquare = 1.5530e-01 V22 CB = 31.9(D), Expected = 32.66, Std = 1.9100, ChiSquare = 6.9070e-01 V22 CG1 = 24.6(D), Expected = 21.38, Std = 1.5300, ChiSquare = 3.5328e-02 V22 CG2 = 21.9(D), Expected = 21.31, Std = 1.7600, ChiSquare = 7.3745e-01 V22 H = 8.14(D), Expected = 8.29, Std = 0.7100, ChiSquare = 8.3268e-01 V22 HA = 3.47(D), Expected = 4.16, Std = 0.5700, ChiSquare = 2.2608e-01 V22 HB = 2.41(D), Expected = 1.99, Std = 0.3300, ChiSquare = 2.0311e-01 V22 HG1 = 1.47(D), Expected = 0.84, Std = 0.2700, ChiSquare = 1.9631e-02 V22 HG2 = 1.04(D), Expected = 0.83, Std = 0.2900, ChiSquare = 4.6898e-01 V22 N = 118.4(D), Expected = 121.02, Std = 4.9600, ChiSquare = 5.9734e-01 E23 C = 179.3(D), Expected = 176.93, Std = 2.1100, ChiSquare = 2.6134e-01 E23 CA = 59.3(D), Expected = 57.42, Std = 2.1900, ChiSquare = 3.9065e-01 E23 CB = 29.6(D), Expected = 30.07, Std = 1.8400, ChiSquare = 7.9839e-01 E23 CG = 36.4(D), Expected = 36.01, Std = 1.5100, ChiSquare = 7.9619e-01 E23 H = 8.21(D), Expected = 8.34, Std = 0.6100, ChiSquare = 8.3124e-01 E23 HA = 3.97(D), Expected = 4.26, Std = 0.4300, ChiSquare = 5.0005e-01 E23 HB2 = 2.21(D), Expected = 2.04, Std = 0.2200, ChiSquare = 4.3968e-01 E23 HB3 = 2.17(D), Expected = 2.04, Std = 0.2300, ChiSquare = 5.7193e-01 E23 HG2 = 2.44(D), Expected = 2.31, Std = 0.2100, ChiSquare = 5.3589e-01 E23 HG3 = 2.32(D), Expected = 2.31, Std = 0.2100, ChiSquare = 9.6202e-01 E23 N = 119.2(D), Expected = 120.68, Std = 3.6800, ChiSquare = 6.8756e-01 E24 C = 178.9(D), Expected = 176.93, Std = 2.1100, ChiSquare = 3.5049e-01 E24 CA = 58.6(D), Expected = 57.42, Std = 2.1900, ChiSquare = 5.9002e-01 E24 CB = 29.4(D), Expected = 30.07, Std = 1.8400, ChiSquare = 7.1576e-01 E24 CG = 36.5(D), Expected = 36.01, Std = 1.5100, ChiSquare = 7.4556e-01 E24 H = 8.05(D), Expected = 8.34, Std = 0.6100, ChiSquare = 6.3449e-01 E24 HA = 4.01(D), Expected = 4.26, Std = 0.4300, ChiSquare = 5.6097e-01 E24 HB2 = 2.10(D), Expected = 2.04, Std = 0.2200, ChiSquare = 7.8506e-01 E24 HB3 = 2.05(D), Expected = 2.04, Std = 0.2300, ChiSquare = 9.6532e-01 E24 HG2 = 2.45(D), Expected = 2.31, Std = 0.2100, ChiSquare = 5.0499e-01 E24 HG3 = 2.30(D), Expected = 2.31, Std = 0.2100, ChiSquare = 9.6202e-01 E24 N = 117.9(D), Expected = 120.68, Std = 3.6800, ChiSquare = 4.4999e-01 K25 C = 178.1(D), Expected = 176.46, Std = 2.0500, ChiSquare = 4.2371e-01 K25 CA = 57.4(D), Expected = 56.84, Std = 2.2500, ChiSquare = 8.0345e-01 K25 CB = 32.1(D), Expected = 32.83, Std = 1.8800, ChiSquare = 6.9780e-01 K25 CG = 24.3(D), Expected = 24.91, Std = 1.3100, ChiSquare = 6.4147e-01 K25 CD = 28.5(D), Expected = 28.78, Std = 1.3900, ChiSquare = 8.4036e-01 K25 CE = 41.9(D), Expected = 41.78, Std = 0.9800, ChiSquare = 9.0254e-01 K25 H = 7.67(D), Expected = 8.22, Std = 0.6400, ChiSquare = 3.9013e-01 K25 HA = 3.98(D), Expected = 4.28, Std = 0.4500, ChiSquare = 5.0499e-01 K25 HB2 = 1.72(D), Expected = 1.79, Std = 0.2500, ChiSquare = 7.7948e-01 K25 HB3 = 1.72(D), Expected = 1.78, Std = 0.2600, ChiSquare = 8.1749e-01 K25 HG2 = 1.29(D), Expected = 1.38, Std = 0.2700, ChiSquare = 7.3888e-01 K25 HG3 = 1.29(D), Expected = 1.37, Std = 0.2900, ChiSquare = 7.8265e-01 K25 HD2 = 1.52(D), Expected = 1.61, Std = 0.2500, ChiSquare = 7.1885e-01 K25 HD3 = 1.52(D), Expected = 1.61, Std = 0.2500, ChiSquare = 7.1885e-01 K25 HE2 = 2.99(D), Expected = 2.93, Std = 0.2000, ChiSquare = 7.6418e-01 K25 HE3 = 2.92(D), Expected = 2.93, Std = 0.2000, ChiSquare = 9.6012e-01 K25 N = 118.9(D), Expected = 121.16, Std = 4.1100, ChiSquare = 5.8240e-01 K26 C = 176.9(D), Expected = 176.46, Std = 2.0500, ChiSquare = 8.3005e-01 K26 CA = 57.2(D), Expected = 56.84, Std = 2.2500, ChiSquare = 8.7288e-01 K26 CB = 32.7(D), Expected = 32.83, Std = 1.8800, ChiSquare = 9.4487e-01 K26 CG = 25.1(D), Expected = 24.91, Std = 1.3100, ChiSquare = 8.8468e-01 K26 CD = 29.4(D), Expected = 28.78, Std = 1.3900, ChiSquare = 6.5557e-01 K26 CE = 42.0(D), Expected = 41.78, Std = 0.9800, ChiSquare = 8.2238e-01 K26 H = 7.67(D), Expected = 8.22, Std = 0.6400, ChiSquare = 3.9013e-01 K26 HA = 4.21(D), Expected = 4.28, Std = 0.4500, ChiSquare = 8.7638e-01 K26 HB2 = 1.92(D), Expected = 1.79, Std = 0.2500, ChiSquare = 6.0306e-01 K26 HB3 = 1.83(D), Expected = 1.78, Std = 0.2600, ChiSquare = 8.4750e-01 K26 HG2 = 1.46(D), Expected = 1.38, Std = 0.2700, ChiSquare = 7.6700e-01 K26 HG3 = 1.46(D), Expected = 1.37, Std = 0.2900, ChiSquare = 7.5630e-01 K26 HD2 = 1.64(D), Expected = 1.61, Std = 0.2500, ChiSquare = 9.0448e-01 K26 HD3 = 1.64(D), Expected = 1.61, Std = 0.2500, ChiSquare = 9.0448e-01 K26 HE2 = 2.94(D), Expected = 2.93, Std = 0.2000, ChiSquare = 9.6012e-01 K26 HE3 = 2.94(D), Expected = 2.93, Std = 0.2000, ChiSquare = 9.6012e-01 K26 N = 117.9(D), Expected = 121.16, Std = 4.1100, ChiSquare = 4.2767e-01 K27 CA = 56.8(D), Expected = 56.84, Std = 2.2500, ChiSquare = 9.8582e-01 K27 CB = 32.6(D), Expected = 32.83, Std = 1.8800, ChiSquare = 9.0263e-01 K27 CG = 24.9(D), Expected = 24.91, Std = 1.3100, ChiSquare = 9.9391e-01 K27 CD = 29.3(D), Expected = 28.78, Std = 1.3900, ChiSquare = 7.0833e-01 K27 CE = 42.2(D), Expected = 41.78, Std = 0.9800, ChiSquare = 6.6823e-01 K27 H = 7.64(D), Expected = 8.22, Std = 0.6400, ChiSquare = 3.6480e-01 K27 HA = 4.29(D), Expected = 4.28, Std = 0.4500, ChiSquare = 9.8227e-01 K27 HB2 = 1.93(D), Expected = 1.79, Std = 0.2500, ChiSquare = 5.7548e-01 K27 HB3 = 1.85(D), Expected = 1.78, Std = 0.2600, ChiSquare = 7.8775e-01 K27 HG2 = 1.54(D), Expected = 1.38, Std = 0.2700, ChiSquare = 5.5345e-01 K27 HG3 = 1.46(D), Expected = 1.37, Std = 0.2900, ChiSquare = 7.5630e-01 K27 HD2 = 1.72(D), Expected = 1.61, Std = 0.2500, ChiSquare = 6.5994e-01 K27 HD3 = 1.72(D), Expected = 1.61, Std = 0.2500, ChiSquare = 6.5994e-01 K27 HE2 = 3.04(D), Expected = 2.93, Std = 0.2000, ChiSquare = 5.8232e-01 K27 HE3 = 3.04(D), Expected = 2.93, Std = 0.2000, ChiSquare = 5.8232e-01 K27 N = 120.9(D), Expected = 121.16, Std = 4.1100, ChiSquare = 9.4956e-01 K28 CA = 57.4(D), Expected = 56.84, Std = 2.2500, ChiSquare = 8.0345e-01 K28 CB = 33.6(D), Expected = 32.83, Std = 1.8800, ChiSquare = 6.8212e-01 K28 CG = 25.2(D), Expected = 24.91, Std = 1.3100, ChiSquare = 8.2480e-01 K28 CD = 29.2(D), Expected = 28.78, Std = 1.3900, ChiSquare = 7.6253e-01 K28 CE = 42.4(D), Expected = 41.78, Std = 0.9800, ChiSquare = 5.2696e-01 K28 H = 7.74(D), Expected = 8.22, Std = 0.6400, ChiSquare = 4.5325e-01 K28 HA = 4.18(D), Expected = 4.28, Std = 0.4500, ChiSquare = 8.2414e-01 K28 HB2 = 1.86(D), Expected = 1.79, Std = 0.2500, ChiSquare = 7.7948e-01 K28 HB3 = 1.75(D), Expected = 1.78, Std = 0.2600, ChiSquare = 9.0814e-01 K28 HG2 = 1.46(D), Expected = 1.38, Std = 0.2700, ChiSquare = 7.6700e-01 K28 HG3 = 1.46(D), Expected = 1.37, Std = 0.2900, ChiSquare = 7.5630e-01 K28 HD2 = 1.71(D), Expected = 1.61, Std = 0.2500, ChiSquare = 6.8916e-01 K28 HD3 = 1.71(D), Expected = 1.61, Std = 0.2500, ChiSquare = 6.8916e-01 K28 HE2 = 3.04(D), Expected = 2.93, Std = 0.2000, ChiSquare = 5.8232e-01 K28 HE3 = 3.04(D), Expected = 2.93, Std = 0.2000, ChiSquare = 5.8232e-01 K28 N = 127.5(D), Expected = 121.16, Std = 4.1100, ChiSquare = 1.2293e-01