Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S6 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.79 L 0.08 C 0.07 R 0.02 C Shift Assignments>> C :: 174.104 CA :: 45.412 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> HA2 :: 3.957 HA3 :: 3.957 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) 1.D8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.25 L 0.19 K 0.14 C 0.11 F 0.09 N 0.07 Y 0.07 R 0.03 C Shift Assignments>> C :: 176.162 CA :: 54.627 CB :: 41.229 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 :: 8.196 HA :: 4.563 HB2 :: 2.677 HB3 :: 2.591 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.778 Ave N Shift Values>> N :: 120.73(4.2) 1.A9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.76 M 0.2 C 0.02 HN Overlap>> 1.V61 1.V61 C Shift Assignments>> C :: 177.367 CA :: 52.500 CB :: 19.223 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.181 HA :: 4.272 HB1 :: 1.378 HB2 :: 1.378 HB3 :: 1.378 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.933 Ave N Shift Values>> N :: 123.23(3.7) 1.A10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.78 M 0.18 C 0.02 C Shift Assignments>> C :: 177.505 CA :: 52.243 CB :: 18.873 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.206 HA :: 4.308 HB1 :: 1.349 HB2 :: 1.349 HB3 :: 1.349 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.129 Ave N Shift Values>> N :: 123.23(3.7) 1.V11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.69 C 0.3 HN Overlap>> 1.Q173 1.Q173 C Shift Assignments>> C :: 176.632 CA :: 61.860 CB :: 33.254 CG1 :: 21.533 CG2 :: 20.599 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 :: 8.018 HA :: 4.266 HB :: 2.069 HG11 :: 0.945 HG12 :: 0.945 HG13 :: 0.945 HG21 :: 0.932 HG22 :: 0.932 HG23 :: 0.932 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 :: 119.638 Ave N Shift Values>> N :: 121.02(4.96) 1.T12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.85 C 0.14 C Shift Assignments>> C :: 173.697 CA :: 60.262 CB :: 68.888 CG2 :: 21.981 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 :: 8.471 HA :: 4.658 HB :: 4.648 HG21 :: 1.338 HG22 :: 1.338 HG23 :: 1.338 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 117.692 Ave N Shift Values>> N :: 115.7(5.05) 1.P13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.84 C 0.15 C Shift Assignments>> C :: 179.357 CA :: 65.625 CB :: 31.745 CG :: 27.996 CD :: 50.455 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 :: 4.186 HB2 :: 2.358 HB3 :: 1.938 HG2 :: 2.007 HG3 :: 2.198 HD2 :: 3.899 HD3 :: 3.899 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) 1.E14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 I 0.33 E 0.28 K 0.02 M 0.01 C Shift Assignments>> C :: 178.016 CA :: 60.051 CB :: 29.804 CG :: 37.214 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 :: 8.560 HA :: 4.037 HB2 :: 2.072 HB3 :: 1.800 HG2 :: 2.100 HG3 :: 2.100 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 :: 118.964 Ave N Shift Values>> N :: 120.68(3.68) 1.E15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 E 0.32 I 0.25 K 0.03 M 0.02 HN Overlap>> 1.F34 1.F34 C Shift Assignments>> C :: 179.643 CA :: 59.266 CB :: 29.887 CG :: 37.202 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 :: 7.798 HA :: 3.908 HB2 :: 1.993 HB3 :: 2.241 HG2 :: 2.319 HG3 :: 2.234 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 :: 119.702 Ave N Shift Values>> N :: 120.68(3.68) 1.R16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.45 C 0.37 K 0.08 G 0.07 C Shift Assignments>> C :: 178.624 CA :: 59.288 CB :: 29.969 CG :: 27.782 CD :: 43.294 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 :: 8.377 HA :: 3.988 HB2 :: 1.866 HB3 :: 1.866 HG2 :: 1.585 HG3 :: 1.698 HD2 :: 3.236 HD3 :: 3.158 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 120.763 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.H17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 H 0.35 W 0.2 HN Overlap>> 1.Q38 1.Q38 C Shift Assignments>> C :: 177.371 CA :: 60.122 CB :: 30.676 CD2 :: 117.394 CE1 :: 137.595 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 :: 8.216 HA :: 4.246 HB2 :: 3.108 HB3 :: 3.108 HD2 :: 6.399 HE1 :: 7.431 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 120.143 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.L18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 C 0.34 R 0.08 G 0.01 HN Overlap>> 1.N39 1.N39 C Shift Assignments>> C :: 178.003 CA :: 58.262 CB :: 42.244 CG :: 27.010 CD1 :: 25.012 CD2 :: 23.383 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 :: 8.431 HA :: 3.571 HB2 :: 1.844 HB3 :: 1.311 HG :: 1.661 HD11 :: 0.731 HD12 :: 0.731 HD13 :: 0.731 HD21 :: 0.696 HD22 :: 0.696 HD23 :: 0.696 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 :: 118.709 Ave N Shift Values>> N :: 121.98(4.07) 1.S19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.284 CA :: 61.810 CB :: 62.586 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.111 HA :: 4.318 HB2 :: 3.949 HB3 :: 3.949 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 112.280 Ave N Shift Values>> N :: 116.3(3.95) 1.K20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.41 C 0.37 R 0.18 M 0.01 G 0.01 C Shift Assignments>> C :: 179.909 CA :: 60.051 CB :: 31.882 CG :: 25.119 CD :: 29.229 CE :: 42.051 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 :: 7.720 HA :: 4.162 HB2 :: 1.979 HB3 :: 1.931 HG2 :: 1.493 HG3 :: 1.642 HD2 :: 1.728 HD3 :: 1.728 HE2 :: 2.983 HE3 :: 2.983 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 :: 121.958 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.M21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 M 0.39 A 0.08 C Shift Assignments>> C :: 177.496 CA :: 57.146 CB :: 33.996 CG :: 33.691 CE :: 19.097 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 :: 8.136 HA :: 4.098 HB2 :: 1.608 HB3 :: 2.142 HG2 :: 1.928 HG3 :: 2.268 HE1 :: 1.853 HE2 :: 1.853 HE3 :: 1.853 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 :: 118.398 Ave N Shift Values>> N :: 120.1(3.88) 1.Q22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 M 0.28 E 0.18 Q 0.16 K 0.05 C Shift Assignments>> C :: 178.527 CA :: 56.682 CB :: 31.695 CG :: 34.489 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 :: 8.136 HA :: 4.874 HB2 :: 2.217 HB3 :: 1.808 HG2 :: 2.336 HG3 :: 2.168 HE21 :: 8.244 HE22 :: 6.180 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 116.090 NE2 :: 114.400 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.Q23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 Q 0.23 K 0.19 E 0.17 M 0.07 R 0.02 I 0.02 HN Overlap>> 1.K117 1.K117 C Shift Assignments>> C :: 176.716 CA :: 58.092 CB :: 29.696 CG :: 34.161 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 :: 8.201 HA :: 4.201 HB2 :: 2.078 HB3 :: 2.078 HG2 :: 2.398 HG3 :: 2.543 HE21 :: 7.429 HE22 :: 6.828 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 :: 117.158 NE2 :: 111.691 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.N24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.26 D 0.22 K 0.12 R 0.12 C 0.1 F 0.05 N 0.04 Y 0.03 G 0.01 C Shift Assignments>> C :: 176.069 CA :: 53.724 CB :: 42.298 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 :: 8.280 HA :: 5.032 HB2 :: 2.983 HB3 :: 2.812 HD21 :: 7.044 HD22 :: 7.625 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 :: 113.545 ND2 :: 112.751 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.G25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.72 C 0.2 L 0.03 A 0.01 C Shift Assignments>> C :: 172.188 CA :: 47.154 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.852 HA2 :: 4.266 HA3 :: 3.984 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.991 Ave N Shift Values>> N :: 109.91(4.29) 1.Y26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.62 C 0.37 C Shift Assignments>> C :: 173.198 CA :: 57.914 CB :: 41.476 CD1 :: 132.856 CD2 :: 132.856 CE1 :: 118.679 CE2 :: 118.679 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 :: 8.041 HA :: 4.688 HB2 :: 2.678 HB3 :: 2.456 HD1 :: 7.020 HD2 :: 7.020 HE1 :: 6.900 HE2 :: 6.900 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 120.794 Ave N Shift Values>> N :: 120.79(4.69) 1.E27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 E 0.37 M 0.1 K 0.06 I 0.02 Q 0.02 C Shift Assignments>> C :: 174.521 CA :: 54.709 CB :: 30.215 CG :: 36.709 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 :: 8.283 HA :: 4.643 HB2 :: 2.050 HB3 :: 1.946 HG2 :: 2.265 HG3 :: 2.568 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 :: 128.360 Ave N Shift Values>> N :: 120.68(3.68) 1.N28 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> N 0.5 D 0.22 C 0.15 L 0.03 F 0.03 Y 0.03 C Shift Assignments>> C :: 175.465 CA :: 50.759 CB :: 39.503 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 :: 7.080 HA :: 4.491 HB2 :: 2.618 HB3 :: 3.401 HD21 :: 6.223 HD22 :: 9.327(S) 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 :: 122.254 ND2 :: 115.353 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.P29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.64 C 0.34 S 0.01 C Shift Assignments>> CA :: 64.326 CB :: 32.270 CG :: 27.361 CD :: 52.016 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 :: 4.128 HB2 :: 2.261 HB3 :: 2.261 HG2 :: 2.064 HG3 :: 2.125 HD2 :: 4.199 HD3 :: 4.199 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) 1.T30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.94 C 0.05 C Shift Assignments>> C :: 174.859 CA :: 64.136 CB :: 68.558 CG2 :: 22.654 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 :: 8.009 HA :: 4.098 HB :: 4.353 HG21 :: 1.286 HG22 :: 1.286 HG23 :: 1.286 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 :: 114.238 Ave N Shift Values>> N :: 115.7(5.05) 1.Y31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.57 C 0.42 C Shift Assignments>> C :: 176.870 CA :: 59.723 CB :: 38.669 CD1 :: 133.758 CD2 :: 133.758 CE1 :: 117.776 CE2 :: 117.776 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 :: 6.797 HA :: 4.433 HB2 :: 3.287 HB3 :: 3.061 HD1 :: 7.345 HD2 :: 7.345 HE1 :: 6.950 HE2 :: 6.950 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 122.377 Ave N Shift Values>> N :: 120.79(4.69) 1.K32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.39 R 0.16 M 0.03 C Shift Assignments>> CA :: 58.124 CB :: 32.811 CG :: 24.531 CD :: 29.181 CE :: 42.005 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 :: 7.737 HA :: 3.810 HB2 :: 1.576 HB3 :: 1.498 HG2 :: 1.009 HG3 :: 1.184 HD2 :: 1.528 HD3 :: 1.528 HE2 :: 2.857 HE3 :: 2.857 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 :: 121.548 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.F33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> F 0.58 C 0.41 C Shift Assignments>> C :: 176.413 CA :: 58.983 CB :: 38.807 CD1 :: 131.610 CD2 :: 131.610 CE1 :: 131.331 CE2 :: 131.331 CZ :: 129.724 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 :: 7.258 HA :: 4.432 HB2 :: 3.128 HB3 :: 2.944 HD1 :: 6.948 HD2 :: 6.948 HE1 :: 7.221 HE2 :: 7.221 HZ :: 7.227 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) 1.F34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.44 Y 0.29 C 0.25 HN Overlap>> 1.E15 1.E15 C Shift Assignments>> C :: 176.998 CA :: 60.462 CB :: 39.257 CD1 :: 132.096 CD2 :: 132.096 CE1 :: 131.339 CE2 :: 131.339 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 :: 7.785 HA :: 4.230 HB2 :: 3.030 HB3 :: 2.991 HD1 :: 7.267 HD2 :: 7.267 HE1 :: 7.291 HE2 :: 7.291 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 :: 119.745 Ave N Shift Values>> N :: 120.69(4.18) 1.E35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.34 I 0.1 K 0.08 M 0.05 Q 0.03 C Shift Assignments>> C :: 177.188 CA :: 57.832 CB :: 29.869 CG :: 36.341 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 :: 8.175 HA :: 4.003 HB2 :: 1.958 HB3 :: 1.810 HG2 :: 2.043 HG3 :: 2.043 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 :: 121.501 Ave N Shift Values>> N :: 120.68(3.68) 1.Q36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.25 C 0.25 K 0.24 E 0.11 R 0.06 M 0.04 C Shift Assignments>> C :: 176.940 CA :: 56.682 CB :: 28.818 CG :: 33.861 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 :: 7.934 HA :: 4.167 HB2 :: 2.078 HB3 :: 2.004 HG2 :: 2.359 HG3 :: 2.359 HE21 :: 6.840 HE22 :: 7.519 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 :: 118.777 NE2 :: 112.165 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.M37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.47 C 0.43 A 0.09 C Shift Assignments>> C :: 176.909 CA :: 56.295 CB :: 32.599 CG :: 32.028 CE :: 17.118 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 :: 8.034 HA :: 4.297 HB2 :: 2.012 HB3 :: 1.951 HG2 :: 2.391 HG3 :: 2.478 HE1 :: 1.976 HE2 :: 1.976 HE3 :: 1.976 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 :: 119.906 Ave N Shift Values>> N :: 120.1(3.88) 1.Q38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.25 K 0.25 C 0.24 E 0.1 R 0.06 M 0.06 HN Overlap>> 1.H17 1.H17 C Shift Assignments>> C :: 176.223 CA :: 56.435 CB :: 29.067 CG :: 33.668 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 :: 8.212 HA :: 4.207 HB2 :: 1.965 HB3 :: 2.063 HG2 :: 2.300 HG3 :: 2.300 HE21 :: 7.438 HE22 :: 6.835 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 :: 120.038 NE2 :: 112.541 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.N39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.41 D 0.18 C 0.16 Y 0.09 F 0.07 L 0.03 E 0.01 HN Overlap>> 1.L18 1.L18 C Shift Assignments>> C :: 175.489 CA :: 53.483 CB :: 38.763 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 :: 8.335 HA :: 4.724 HB2 :: 2.892 HB3 :: 2.768 HD21 :: 7.016 HD22 :: 7.717 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 118.750 ND2 :: 112.471 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.S40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.932 CA :: 58.325 CB :: 63.863 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.257 HA :: 4.511 HB2 :: 3.895 HB3 :: 3.895 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.804 Ave N Shift Values>> N :: 116.3(3.95) 1.G41 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S42 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S43 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G44 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S45 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S46 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G47 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S48 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S49 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G50 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S51 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S52 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.49 L 0.19 R 0.14 C 0.1 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> CA :: 44.579 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.210 HA2 :: 4.053 HA3 :: 4.053 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.619 Ave N Shift Values>> N :: 109.91(4.29) 1.P54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.79 C 0.2 C Shift Assignments>> C :: 177.058 CA :: 62.977 CB :: 32.180 CG :: 27.174 CD :: 49.777 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 :: 4.463 HB2 :: 1.890 HB3 :: 2.228 HG2 :: 1.962 HG3 :: 1.962 HD2 :: 3.565 HD3 :: 3.508 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) 1.T55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.86 C 0.13 C Shift Assignments>> C :: 172.873 CA :: 59.887 CB :: 69.668 CG2 :: 21.581 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 :: 8.338 HA :: 4.549 HB :: 4.110 HG21 :: 1.237 HG22 :: 1.237 HG23 :: 1.237 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 117.654 Ave N Shift Values>> N :: 115.7(5.05) 1.P56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.79 C 0.19 C Shift Assignments>> C :: 176.830 CA :: 63.175 CB :: 32.106 CG :: 27.495 CD :: 51.167 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 :: 4.394 HB2 :: 1.863 HB3 :: 2.286 HG2 :: 2.021 HG3 :: 1.959 HD2 :: 3.668 HD3 :: 3.847 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) 1.K57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.37 R 0.18 M 0.02 G 0.01 C Shift Assignments>> C :: 176.899 CA :: 56.435 CB :: 33.092 CG :: 24.768 CD :: 28.976 CE :: 42.216 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 :: 8.493 HA :: 4.351 HB2 :: 1.833 HB3 :: 1.757 HG2 :: 1.464 HG3 :: 1.414 HD2 :: 1.662 HD3 :: 1.662 HE2 :: 2.964 HE3 :: 2.964 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 122.279 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.T58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 HN Overlap>> 1.F130 1.F130 C Shift Assignments>> C :: 174.403 CA :: 61.897 CB :: 69.681 CG2 :: 21.561 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 :: 8.252 HA :: 4.308 HB :: 4.185 HG21 :: 1.177 HG22 :: 1.177 HG23 :: 1.177 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 :: 115.664 Ave N Shift Values>> N :: 115.7(5.05) 1.E59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.35 K 0.08 M 0.08 I 0.05 Q 0.04 C Shift Assignments>> C :: 175.990 CA :: 56.516 CB :: 30.051 CG :: 36.318 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 :: 8.554 HA :: 4.302 HB2 :: 2.072 HB3 :: 1.882 HG2 :: 2.239 HG3 :: 2.239 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 123.260 Ave N Shift Values>> N :: 120.68(3.68) 1.L60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.61 C 0.27 R 0.06 G 0.03 A 0.01 C Shift Assignments>> C :: 176.458 CA :: 55.120 CB :: 42.601 CG :: 27.010 CD1 :: 24.626 CD2 :: 23.885 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 :: 8.054 HA :: 4.338 HB2 :: 1.566 HB3 :: 1.523 HG :: 1.513 HD11 :: 0.861 HD12 :: 0.861 HD13 :: 0.861 HD21 :: 0.812 HD22 :: 0.812 HD23 :: 0.812 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 123.176 Ave N Shift Values>> N :: 121.98(4.07) 1.V61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.69 C 0.3 HN Overlap>> 1.A9 1.A9 C Shift Assignments>> C :: 175.646 CA :: 61.860 CB :: 33.335 CG1 :: 20.845 CG2 :: 21.039 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 :: 8.219 HA :: 4.289 HB :: 1.904 HG11 :: 0.752 HG12 :: 0.752 HG13 :: 0.752 HG21 :: 0.865 HG22 :: 0.865 HG23 :: 0.865 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 123.934 Ave N Shift Values>> N :: 121.02(4.96) 1.Q62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.37 C 0.32 Q 0.14 E 0.12 K 0.02 C Shift Assignments>> C :: 173.313 CA :: 55.045 CB :: 32.188 CG :: 34.361 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 :: 8.297 HA :: 4.387 HB2 :: 1.841 HB3 :: 1.841 HG2 :: 2.117 HG3 :: 2.224 HE21 :: 6.938 HE22 :: 7.498 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 :: 125.459 NE2 :: 111.600 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.K63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 K 0.4 R 0.13 M 0.03 C Shift Assignments>> C :: 175.102 CA :: 55.056 CB :: 35.257 CG :: 24.544 CD :: 29.507 CE :: 41.791 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 :: 7.792 HA :: 5.100 HB2 :: 1.520 HB3 :: 1.436 HG2 :: 1.156 HG3 :: 1.102 HD2 :: 1.497 HD3 :: 1.497 HE2 :: 2.791 HE3 :: 2.791 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 122.691 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.F64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.58 C 0.34 G 0.06 C Shift Assignments>> C :: 174.306 CA :: 56.635 CB :: 42.873 CD1 :: 132.404 CD2 :: 132.404 CE1 :: 130.184 CE2 :: 130.184 CZ :: 129.861 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 :: 8.922 HA :: 4.741 HB2 :: 3.073 HB3 :: 2.590 HD1 :: 7.068 HD2 :: 7.068 HE1 :: 6.886 HE2 :: 6.886 HZ :: 6.883 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 :: 122.186 Ave N Shift Values>> N :: 120.69(4.18) 1.R65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.35 K 0.11 G 0.06 L 0.02 C Shift Assignments>> C :: 176.413 CA :: 56.155 CB :: 30.051 CG :: 27.453 CD :: 43.202 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 :: 8.874 HA :: 5.310 HB2 :: 2.000 HB3 :: 1.806 HG2 :: 1.639 HG3 :: 1.639 HD2 :: 3.248 HD3 :: 3.248 HE :: 7.825 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 126.639 NE :: 85.514 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.V66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.78 I 0.12 V 0.08 C Shift Assignments>> C :: 174.751 CA :: 59.443 CB :: 36.260 CG1 :: 24.066 CG2 :: 20.106 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 :: 8.885 HA :: 5.318 HB :: 2.822 HG11 :: 1.012 HG12 :: 1.012 HG13 :: 1.012 HG21 :: 0.801 HG22 :: 0.801 HG23 :: 0.801 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 :: 120.423 Ave N Shift Values>> N :: 121.02(4.96) 1.Q67 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.76 M 0.15 E 0.07 C Shift Assignments>> C :: 175.963 CA :: 54.938 CB :: 34.407 CG :: 36.380 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 :: 9.095 HA :: 5.789(S) HB2 :: 2.480 HB3 :: 2.258 HG2 :: 2.518 HG3 :: 2.518 HE21 :: 8.057 HE22 :: 6.639 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 116.418 NE2 :: 112.893 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.Y68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.64 C 0.34 C Shift Assignments>> C :: 173.614 CA :: 54.431 CB :: 41.394 CD1 :: 132.527 CD2 :: 132.527 CE1 :: 118.007 CE2 :: 118.007 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 :: 8.855 HA :: 5.118 HB2 :: 2.929 HB3 :: 2.929 HD1 :: 6.679 HD2 :: 6.679 HE1 :: 6.534 HE2 :: 6.534 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 123.665 Ave N Shift Values>> N :: 120.79(4.69) 1.L69 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.41 R 0.36 K 0.19 L 0.01 C Shift Assignments>> C :: 175.652 CA :: 58.901 CB :: 41.825 CG :: 30.405 CD1 :: 25.592 CD2 :: 26.510 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 :: 8.354 HA :: 3.294 HB2 :: 0.896 HB3 :: 0.493 HG :: -0.884(S) HD11 :: -0.046 HD12 :: -0.046 HD13 :: -0.046 HD21 :: -0.014 HD22 :: -0.014 HD23 :: -0.014 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 :: 129.862 Ave N Shift Values>> N :: 121.98(4.07) 1.G70 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.38 L 0.27 C 0.07 G 0.06 K 0.05 D 0.05 F 0.04 Y 0.02 I 0.01 C Shift Assignments>> C :: 169.062 CA :: 43.284 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 5.498(S) HA2 :: 4.030 HA3 :: 2.299(S) Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 103.299 Ave N Shift Values>> N :: 109.91(4.29) 1.M71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.44 M 0.34 C 0.2 C Shift Assignments>> C :: 175.591 CA :: 52.134 CB :: 34.078 CG :: 32.099 CE :: 17.504 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 :: 7.566 HA :: 5.173 HB2 :: 1.416 HB3 :: 1.345 HG2 :: 1.960 HG3 :: 1.616 HE1 :: 1.874 HE2 :: 1.874 HE3 :: 1.874 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 :: 116.971 Ave N Shift Values>> N :: 120.1(3.88) 1.L72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.54 C 0.27 L 0.17 C Shift Assignments>> C :: 174.593 CA :: 52.243 CB :: 46.673 CG :: 26.761 CD1 :: 24.910 CD2 :: 26.021 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 :: 8.565 HA :: 4.758 HB2 :: 1.432 HB3 :: 1.100 HG :: 1.530 HD11 :: 0.890 HD12 :: 0.890 HD13 :: 0.890 HD21 :: 0.905 HD22 :: 0.905 HD23 :: 0.905 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 :: 125.847 Ave N Shift Values>> N :: 121.98(4.07) 1.P73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.72 C 0.27 C Shift Assignments>> C :: 176.658 CA :: 62.384 CB :: 31.859 CG :: 27.667 CD :: 51.175 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 :: 4.958 HB2 :: 2.338 HB3 :: 1.895 HG2 :: 2.103 HG3 :: 1.870 HD2 :: 3.593 HD3 :: 3.756 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) 1.V74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.76 V 0.11 I 0.1 A 0.01 C Shift Assignments>> C :: 176.162 CA :: 59.065 CB :: 36.150 CG1 :: 23.082 CG2 :: 19.202 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 :: 8.023 HA :: 4.833 HB :: 2.138 HG11 :: 0.761 HG12 :: 0.761 HG13 :: 0.761 HG21 :: 0.668 HG22 :: 0.668 HG23 :: 0.668 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 :: 112.871 Ave N Shift Values>> N :: 121.02(4.96) 1.D75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.23 D 0.2 K 0.17 C 0.1 R 0.09 F 0.07 Y 0.06 N 0.03 C Shift Assignments>> C :: 175.979 CA :: 54.873 CB :: 41.877 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 :: 8.488 HA :: 4.751 HB2 :: 2.758 HB3 :: 2.727 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 :: 116.938 Ave N Shift Values>> N :: 120.73(4.2) 1.R76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 R 0.31 G 0.17 K 0.12 C Shift Assignments>> C :: 173.164 CA :: 52.389 CB :: 32.681 CG :: 26.413 CD :: 43.271 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 :: 7.074 HA :: 4.550 HB2 :: 1.735 HB3 :: 1.650 HG2 :: 1.528 HG3 :: 1.528 HD2 :: 3.118 HD3 :: 3.118 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 116.765 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.P77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.67 C 0.31 C Shift Assignments>> C :: 176.067 CA :: 62.209 CB :: 31.686 CG :: 26.036 CD :: 49.466 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 :: 3.467 HB2 :: 1.442 HB3 :: 1.304 HG2 :: 1.864 HG3 :: 1.748 HD2 :: 2.918 HD3 :: 3.502 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) 1.V78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.86 A 0.05 I 0.04 V 0.03 C Shift Assignments>> C :: 174.201 CA :: 58.027 CB :: 36.906 CG1 :: 21.462 CG2 :: 18.318 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 :: 6.276 HA :: 3.683 HB :: 1.594 HG11 :: 0.706 HG12 :: 0.706 HG13 :: 0.706 HG21 :: 0.514 HG22 :: 0.514 HG23 :: 0.514 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 :: 106.784 Ave N Shift Values>> N :: 121.02(4.96) 1.G79 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.53 L 0.18 R 0.12 C 0.1 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 173.689 CA :: 44.666 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 3.398(S) HA2 :: 4.227 HA3 :: 3.172 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.709 Ave N Shift Values>> N :: 109.91(4.29) SRO Rule Breaks>> (H > HA2 : 0.9980) 1.M80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 M 0.34 A 0.1 C Shift Assignments>> C :: 178.872 CA :: 55.531 CB :: 29.065 CG :: 32.270 CE :: 16.072 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 :: 8.946 HA :: 4.738 HB2 :: 2.035 HB3 :: 2.035 HG2 :: 2.459 HG3 :: 2.598 HE1 :: 2.058 HE2 :: 2.058 HE3 :: 2.058 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 :: 125.176 Ave N Shift Values>> N :: 120.1(3.88) 1.D81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.25 C 0.23 F 0.19 E 0.08 I 0.07 N 0.05 D 0.05 L 0.02 M 0.01 C Shift Assignments>> C :: 179.221 CA :: 56.896 CB :: 38.353 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 :: 8.952 HA :: 4.374 HB2 :: 2.702 HB3 :: 2.607 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.202 Ave N Shift Values>> N :: 120.73(4.2) 1.T82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 C 0.01 C Shift Assignments>> C :: 176.452 CA :: 66.216 CB :: 68.505 CG2 :: 21.730 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 :: 7.489 HA :: 3.699 HB :: 3.806 HG21 :: 1.071 HG22 :: 1.071 HG23 :: 1.071 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 119.894 Ave N Shift Values>> N :: 115.7(5.05) 1.L83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 L 0.3 G 0.29 R 0.07 C Shift Assignments>> C :: 178.432 CA :: 58.798 CB :: 44.208 CG :: 26.361 CD1 :: 26.453 CD2 :: 25.522 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 :: 7.942 HA :: 3.736 HB2 :: 1.610 HB3 :: 1.856 HG :: 1.368 HD11 :: 0.709 HD12 :: 0.709 HD13 :: 0.709 HD21 :: 0.592 HD22 :: 0.592 HD23 :: 0.592 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 122.205 Ave N Shift Values>> N :: 121.98(4.07) 1.N84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 Y 0.23 F 0.16 E 0.11 N 0.07 I 0.05 D 0.05 M 0.02 L 0.01 C Shift Assignments>> C :: 178.101 CA :: 56.598 CB :: 38.054 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 :: 9.103 HA :: 4.547 HB2 :: 2.928 HB3 :: 2.560 HD21 :: 7.251 HD22 :: 7.688 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 :: 114.788 ND2 :: 112.389 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.S85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.T110 1.T110 C Shift Assignments>> C :: 176.507 CA :: 61.789 CB :: 62.599 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.742 HA :: 4.188 HB2 :: 3.957 HB3 :: 3.910 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 :: 114.878 Ave N Shift Values>> N :: 116.3(3.95) 1.A86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.51 A 0.4 C 0.03 I 0.02 C Shift Assignments>> C :: 178.740 CA :: 55.051 CB :: 18.544 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.205 HA :: 4.080 HB1 :: 1.291 HB2 :: 1.291 HB3 :: 1.291 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.168 Ave N Shift Values>> N :: 123.23(3.7) 1.I87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.96 C 0.03 C Shift Assignments>> C :: 177.832 CA :: 66.472 CB :: 39.010 CG1 :: 29.012 CG2 :: 17.718 CD1 :: 12.943 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 :: 8.209 HA :: 3.321 HB :: 1.941 HG12 :: 0.729 HG13 :: 1.747 HG21 :: 0.927 HG22 :: 0.927 HG23 :: 0.927 HD11 :: 0.637 HD12 :: 0.637 HD13 :: 0.637 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 116.772 Ave N Shift Values>> N :: 121.6(4.72) 1.E88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 E 0.29 I 0.28 K 0.05 Q 0.01 C Shift Assignments>> C :: 179.454 CA :: 59.394 CB :: 28.900 CG :: 36.791 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 :: 8.470 HA :: 3.899 HB2 :: 2.030 HB3 :: 2.030 HG2 :: 2.340 HG3 :: 2.485 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 116.179 Ave N Shift Values>> N :: 120.68(3.68) 1.N89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.24 C 0.21 F 0.2 D 0.09 N 0.07 I 0.05 E 0.04 L 0.04 C Shift Assignments>> C :: 178.640 CA :: 56.635 CB :: 38.846 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 :: 7.833 HA :: 4.336 HB2 :: 2.857 HB3 :: 2.775 HD21 :: 6.773 HD22 :: 7.281 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 118.662 ND2 :: 111.691 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.L90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.46 C 0.42 R 0.08 G 0.01 A 0.01 C Shift Assignments>> C :: 179.821 CA :: 57.910 CB :: 41.891 CG :: 26.763 CD1 :: 22.298 CD2 :: 25.411 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 :: 7.940 HA :: 4.075 HB2 :: 0.961 HB3 :: 1.561 HG :: 1.525 HD11 :: 0.598 HD12 :: 0.598 HD13 :: 0.598 HD21 :: 0.228 HD22 :: 0.228 HD23 :: 0.228 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.764 Ave N Shift Values>> N :: 121.98(4.07) 1.M91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 M 0.44 C Shift Assignments>> C :: 177.283 CA :: 58.668 CB :: 33.668 CG :: 33.030 CE :: 17.065 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 :: 8.594 HA :: 4.248 HB2 :: 2.300 HB3 :: 2.193 HG2 :: 2.458 HG3 :: 2.753 HE1 :: 2.335 HE2 :: 2.335 HE3 :: 2.335 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 :: 118.402 Ave N Shift Values>> N :: 120.1(3.88) 1.T92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.96 C 0.03 C Shift Assignments>> C :: 175.758 CA :: 63.494 CB :: 69.867 CG2 :: 21.503 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 :: 7.766 HA :: 4.429 HB :: 4.431 HG21 :: 1.348 HG22 :: 1.348 HG23 :: 1.348 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 :: 108.390 Ave N Shift Values>> N :: 115.7(5.05) 1.S93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.435 CA :: 59.087 CB :: 64.326 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.746 HA :: 4.556 HB2 :: 4.058 HB3 :: 3.953 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.330 Ave N Shift Values>> N :: 116.3(3.95) 1.S94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.95 T 0.04 C Shift Assignments>> C :: 172.176 CA :: 57.668 CB :: 65.723 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.733 HA :: 4.711 HB2 :: 4.111 HB3 :: 4.111 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 :: 114.449 Ave N Shift Values>> N :: 116.3(3.95) 1.S95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.433 CA :: 56.874 CB :: 65.042 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.587 HA :: 4.399 HB2 :: 3.633 HB3 :: 3.596 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.049 Ave N Shift Values>> N :: 116.3(3.95) 1.K96 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.38 C 0.38 R 0.16 M 0.06 C Shift Assignments>> C :: 177.257 CA :: 57.132 CB :: 32.103 CG :: 23.750 CD :: 29.147 CE :: 41.558 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 :: 7.629 HA :: 1.305(S) HB2 :: 0.883(S) HB3 :: 0.714(S) HG2 :: 0.576 HG3 :: 0.718 HD2 :: 1.029 HD3 :: 0.910 HE2 :: 2.275 HE3 :: 2.486 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 :: 123.310 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) SRO Rule Breaks>> (HA > HE2 : 0.9935) (HA > HE3 : 0.9935) 1.E97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 E 0.32 I 0.14 K 0.11 Q 0.04 M 0.01 C Shift Assignments>> C :: 176.974 CA :: 58.076 CB :: 28.654 CG :: 36.215 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 :: 7.929 HA :: 3.768 HB2 :: 1.661 HB3 :: 1.807 HG2 :: 2.096 HG3 :: 2.054 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 :: 115.347 Ave N Shift Values>> N :: 120.68(3.68) 1.D98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.23 D 0.22 K 0.16 C 0.1 R 0.08 F 0.07 Y 0.05 N 0.04 C Shift Assignments>> C :: 176.773 CA :: 54.545 CB :: 41.818 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 :: 7.755 HA :: 4.561 HB2 :: 2.845 HB3 :: 2.698 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 :: 117.380 Ave N Shift Values>> N :: 120.73(4.2) 1.W99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.66 C 0.32 C Shift Assignments>> C :: 174.714 CA :: 53.075 CB :: 28.356 CD1 :: 124.789 CE3 :: 120.086 CZ2 :: 114.427 CZ3 :: 121.553 CH2 :: 123.897 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 :: 7.017 HA :: 5.245 HB2 :: 3.378 HB3 :: 2.792 HD1 :: 6.928 HE1 :: 9.869 HE3 :: 6.913 HZ2 :: 7.276 HZ3 :: 5.871 HH2 :: 6.576 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 :: 123.782 NE1 :: 129.584 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.P100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.76 C 0.22 C Shift Assignments>> C :: 176.803 CA :: 63.114 CB :: 32.517 CG :: 27.561 CD :: 51.421 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 :: 4.608 HB2 :: 2.453 HB3 :: 1.998 HG2 :: 2.300 HG3 :: 2.251 HD2 :: 4.205 HD3 :: 4.732 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) 1.S101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.559 CA :: 59.162 CB :: 63.391 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.736 HA :: 5.023 HB2 :: 3.886 HB3 :: 3.886 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 :: 117.474 Ave N Shift Values>> N :: 116.3(3.95) 1.V102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.72 V 0.24 I 0.01 A 0.01 C Shift Assignments>> C :: 173.595 CA :: 58.823 CB :: 35.882 CG1 :: 22.325 CG2 :: 20.599 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 :: 9.425 HA :: 5.029 HB :: 2.139 HG11 :: 0.862 HG12 :: 0.862 HG13 :: 0.862 HG21 :: 0.748 HG22 :: 0.748 HG23 :: 0.748 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 :: 118.721 Ave N Shift Values>> N :: 121.02(4.96) 1.N103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 N 0.2 L 0.15 C 0.12 K 0.06 F 0.04 Y 0.03 R 0.01 C Shift Assignments>> C :: 174.222 CA :: 52.079 CB :: 41.147 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 :: 9.094 HA :: 5.608 HB2 :: 2.524 HB3 :: 2.410 HD21 :: 7.364 HD22 :: 6.997 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 :: 117.654 ND2 :: 112.872 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.M104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 M 0.42 A 0.08 I 0.01 C Shift Assignments>> C :: 173.637 CA :: 54.380 CB :: 35.967 CG :: 31.695 CE :: 15.239 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 :: 9.598 HA :: 4.942 HB2 :: 2.011 HB3 :: 1.576 HG2 :: 1.893 HG3 :: 1.893 HE1 :: 0.968 HE2 :: 0.968 HE3 :: 0.968 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 :: 124.813 Ave N Shift Values>> N :: 120.1(3.88) 1.N105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 N 0.25 L 0.13 C 0.12 K 0.04 F 0.04 Y 0.03 R 0.01 C Shift Assignments>> C :: 174.541 CA :: 51.873 CB :: 40.917 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 :: 9.446 HA :: 5.428 HB2 :: 2.733 HB3 :: 2.453 HD21 :: 6.872 HD22 :: 6.606 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 :: 127.069 ND2 :: 109.493 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.V106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.7 C 0.29 C Shift Assignments>> C :: 174.621 CA :: 61.860 CB :: 32.684 CG1 :: 21.421 CG2 :: 20.745 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 :: 9.143 HA :: 4.602 HB :: 2.087 HG11 :: 0.723 HG12 :: 0.723 HG13 :: 0.723 HG21 :: 0.758 HG22 :: 0.758 HG23 :: 0.758 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 124.974 Ave N Shift Values>> N :: 121.02(4.96) 1.A107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.38 L 0.3 C 0.13 M 0.13 K 0.02 C Shift Assignments>> C :: 176.366 CA :: 51.586 CB :: 22.290 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.464 HA :: 4.650 HB1 :: 1.407 HB2 :: 1.407 HB3 :: 1.407 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 128.630 Ave N Shift Values>> N :: 123.23(3.7) 1.D108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.18 Y 0.18 F 0.17 C 0.17 N 0.11 L 0.09 I 0.02 K 0.02 E 0.01 C Shift Assignments>> C :: 176.664 CA :: 55.789 CB :: 39.668 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 9.218 HA :: 4.297 HB2 :: 2.544 HB3 :: 2.850 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.623 Ave N Shift Values>> N :: 120.73(4.2) 1.A109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.68 M 0.28 C 0.02 C Shift Assignments>> C :: 177.086 CA :: 53.084 CB :: 18.297 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.145 HA :: 4.034 HB1 :: 1.525 HB2 :: 1.525 HB3 :: 1.525 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 118.697 Ave N Shift Values>> N :: 123.23(3.7) 1.T110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.88 C 0.11 HN Overlap>> 1.S85 1.S85 C Shift Assignments>> C :: 172.046 CA :: 62.514 CB :: 72.509 CG2 :: 21.339 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 :: 7.852 HA :: 4.930 HB :: 4.075 HG21 :: 1.031 HG22 :: 1.031 HG23 :: 1.031 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 :: 114.859 Ave N Shift Values>> N :: 115.7(5.05) 1.V111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.65 C 0.34 C Shift Assignments>> C :: 174.639 CA :: 61.309 CB :: 33.421 CG1 :: 20.773 CG2 :: 20.916 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 :: 8.830 HA :: 4.702 HB :: 1.712 HG11 :: 0.619 HG12 :: 0.619 HG13 :: 0.619 HG21 :: 0.614 HG22 :: 0.614 HG23 :: 0.614 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 :: 126.852 Ave N Shift Values>> N :: 121.02(4.96) 1.T112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.83 C 0.16 C Shift Assignments>> C :: 173.426 CA :: 61.202 CB :: 70.640 CG2 :: 22.818 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 :: 9.017 HA :: 5.069 HB :: 3.925 HG21 :: 1.268 HG22 :: 1.268 HG23 :: 1.268 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 :: 122.594 Ave N Shift Values>> N :: 115.7(5.05) 1.V113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.65 C 0.34 C Shift Assignments>> C :: 174.364 CA :: 61.284 CB :: 32.599 CG1 :: 21.837 CG2 :: 21.249 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 :: 9.132 HA :: 4.858 HB :: 1.909 HG11 :: 0.658 HG12 :: 0.658 HG13 :: 0.658 HG21 :: 0.769 HG22 :: 0.769 HG23 :: 0.769 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 :: 126.744 Ave N Shift Values>> N :: 121.02(4.96) 1.I114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.56 C 0.42 C Shift Assignments>> C :: 175.449 CA :: 59.887 CB :: 41.646 CG1 :: 28.352 CG2 :: 18.277 CD1 :: 13.508 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.108 HA :: 4.876 HB :: 1.737 HG12 :: 1.459 HG13 :: 1.027 HG21 :: 1.018 HG22 :: 1.018 HG23 :: 1.018 HD11 :: 0.828 HD12 :: 0.828 HD13 :: 0.828 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 :: 128.075 Ave N Shift Values>> N :: 121.6(4.72) 1.S115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.020 CA :: 58.992 CB :: 63.917 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.454 HA :: 4.366 HB2 :: 4.148 HB3 :: 4.337 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 120.240 Ave N Shift Values>> N :: 116.3(3.95) 1.E116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.35 I 0.13 K 0.06 M 0.04 Q 0.01 C Shift Assignments>> C :: 177.138 CA :: 58.325 CB :: 29.969 CG :: 36.626 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 :: 8.343 HA :: 4.188 HB2 :: 1.965 HB3 :: 1.857 HG2 :: 2.201 HG3 :: 2.201 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 124.509 Ave N Shift Values>> N :: 120.68(3.68) 1.K117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.38 R 0.18 M 0.02 HN Overlap>> 1.Q23 1.Q23 C Shift Assignments>> C :: 176.383 CA :: 56.846 CB :: 33.281 CG :: 25.037 CD :: 29.147 CE :: 42.051 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 :: 8.110 HA :: 4.269 HB2 :: 1.875 HB3 :: 1.785 HG2 :: 1.509 HG3 :: 1.443 HD2 :: 1.722 HD3 :: 1.722 HE2 :: 3.038 HE3 :: 3.038 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 :: 117.189 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.N118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.46 D 0.18 C 0.15 Y 0.07 F 0.06 L 0.03 E 0.01 C Shift Assignments>> C :: 174.612 CA :: 52.901 CB :: 38.763 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 :: 7.476 HA :: 4.714 HB2 :: 2.889 HB3 :: 2.765 HD21 :: 6.927 HD22 :: 7.613 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 :: 116.258 ND2 :: 113.248 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.E119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.35 C 0.35 I 0.14 K 0.08 Q 0.02 M 0.02 HN Overlap>> 1.F143 1.F143 C Shift Assignments>> C :: 175.656 CA :: 57.967 CB :: 29.229 CG :: 36.544 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 :: 8.668 HA :: 4.155 HB2 :: 2.071 HB3 :: 1.998 HG2 :: 2.267 HG3 :: 2.267 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 :: 121.353 Ave N Shift Values>> N :: 120.68(3.68) 1.E120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.38 I 0.08 K 0.08 M 0.03 Q 0.02 C Shift Assignments>> C :: 176.242 CA :: 56.519 CB :: 29.393 CG :: 36.791 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 :: 8.041 HA :: 4.190 HB2 :: 2.124 HB3 :: 1.947 HG2 :: 2.267 HG3 :: 2.184 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 :: 115.570 Ave N Shift Values>> N :: 120.68(3.68) 1.E121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.35 M 0.1 K 0.08 Q 0.04 I 0.04 C Shift Assignments>> C :: 173.922 CA :: 56.191 CB :: 30.236 CG :: 36.298 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 :: 7.969 HA :: 4.308 HB2 :: 2.243 HB3 :: 1.896 HG2 :: 2.141 HG3 :: 2.068 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 :: 122.538 Ave N Shift Values>> N :: 120.68(3.68) 1.V122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.78 C 0.21 C Shift Assignments>> C :: 176.611 CA :: 62.846 CB :: 31.827 CG1 :: 21.645 CG2 :: 21.052 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 :: 8.305 HA :: 4.055 HB :: 1.998 HG11 :: 0.782 HG12 :: 0.782 HG13 :: 0.782 HG21 :: 0.895 HG22 :: 0.895 HG23 :: 0.895 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 :: 127.120 Ave N Shift Values>> N :: 121.02(4.96) 1.L123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.42 C 0.29 R 0.22 G 0.03 A 0.01 C Shift Assignments>> C :: 177.541 CA :: 56.404 CB :: 42.850 CG :: 27.770 CD1 :: 25.890 CD2 :: 23.111 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 :: 9.056 HA :: 4.349 HB2 :: 1.493 HB3 :: 1.310 HG :: 1.686 HD11 :: 0.898 HD12 :: 0.898 HD13 :: 0.898 HD21 :: 0.878 HD22 :: 0.878 HD23 :: 0.878 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 :: 129.787 Ave N Shift Values>> N :: 121.98(4.07) 1.V124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 V 0.46 I 0.02 C Shift Assignments>> C :: 172.809 CA :: 61.280 CB :: 35.722 CG1 :: 21.320 CG2 :: 19.702 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 :: 7.357 HA :: 4.194 HB :: 1.722 HG11 :: 0.565 HG12 :: 0.565 HG13 :: 0.565 HG21 :: 0.519 HG22 :: 0.519 HG23 :: 0.519 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 115.073 Ave N Shift Values>> N :: 121.02(4.96) 1.E125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 E 0.29 M 0.2 I 0.01 C Shift Assignments>> C :: 173.762 CA :: 55.531 CB :: 32.106 CG :: 36.870 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 :: 8.710 HA :: 4.846 HB2 :: 1.991 HB3 :: 1.780 HG2 :: 1.857 HG3 :: 2.046 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 :: 127.918 Ave N Shift Values>> N :: 120.68(3.68) 1.C126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.14 K 0.13 H 0.13 E 0.13 W 0.13 C 0.11 R 0.1 M 0.03 I 0.03 L 0.01 C Shift Assignments>> C :: 174.972 CA :: 57.093 CB :: 29.264 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 9.315 HA :: 4.942 HB2 :: 2.861 HB3 :: 2.530 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 126.943 Ave N Shift Values>> N :: 119.95(4.79) 1.R127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.36 G 0.08 K 0.08 L 0.02 C Shift Assignments>> C :: 178.662 CA :: 56.846 CB :: 29.804 CG :: 27.571 CD :: 43.448 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 :: 9.233 HA :: 4.723 HB2 :: 2.001 HB3 :: 2.159 HG2 :: 1.907 HG3 :: 1.907 HD2 :: 3.280 HD3 :: 3.280 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 :: 130.534 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.V128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.95 C 0.04 C Shift Assignments>> C :: 176.919 CA :: 66.347 CB :: 30.992 CG1 :: 21.764 CG2 :: 20.434 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 :: 8.608 HA :: 3.727 HB :: 2.286 HG11 :: 0.857 HG12 :: 0.857 HG13 :: 0.857 HG21 :: 0.958 HG22 :: 0.958 HG23 :: 0.958 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 :: 122.563 Ave N Shift Values>> N :: 121.02(4.96) 1.R129 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.33 C 0.3 K 0.25 L 0.07 G 0.03 C Shift Assignments>> C :: 175.384 CA :: 57.997 CB :: 29.393 CG :: 26.008 CD :: 42.913 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 :: 8.067 HA :: 3.998 HB2 :: 1.642 HB3 :: 1.198 HG2 :: 1.056 HG3 :: 0.486(S) HD2 :: 2.411 HD3 :: 2.617 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 :: 118.277 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.F130 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> F 0.41 C 0.3 Y 0.28 HN Overlap>> 1.T58 1.T58 C Shift Assignments>> C :: 173.057 CA :: 57.838 CB :: 39.421 CD1 :: 131.774 CD2 :: 131.774 CE1 :: 131.311 CE2 :: 131.311 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 :: 8.203 HA :: 5.025 HB2 :: 4.411(A) HB3 :: 2.948 HD1 :: 7.421 HD2 :: 7.421 HE1 :: 7.322 HE2 :: 7.322 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 :: 115.582 Ave N Shift Values>> N :: 120.69(4.18) 1.L131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.34 C 0.28 L 0.26 G 0.07 K 0.02 C Shift Assignments>> C :: 175.419 CA :: 55.120 CB :: 43.306 CG :: 28.636 CD1 :: 26.367 CD2 :: 25.599 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.813 HA :: 4.833 HB2 :: 1.443 HB3 :: 2.018 HG :: 1.643 HD11 :: 0.254 HD12 :: 0.254 HD13 :: 0.254 HD21 :: 0.735 HD22 :: 0.735 HD23 :: 0.735 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 :: 125.638 Ave N Shift Values>> N :: 121.98(4.07) 1.S132 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.011 CA :: 60.506 CB :: 62.803 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.957 HA :: 3.924 HB2 :: 3.174 HB3 :: 2.267(S) Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 120.706 Ave N Shift Values>> N :: 116.3(3.95) 1.F133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.68 C 0.27 F 0.02 Y 0.01 C Shift Assignments>> C :: 172.054 CA :: 57.298 CB :: 46.263 CE1 :: 130.706 CE2 :: 130.706 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 :: 7.693 HA :: 5.499 HB2 :: 3.684 HB3 :: 2.616 HD1 :: 7.038 HD2 :: 7.038 HE1 :: 7.269 HE2 :: 7.269 HZ :: 7.398 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 :: 124.503 Ave N Shift Values>> N :: 120.69(4.18) 1.M134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.45 C 0.34 M 0.19 C Shift Assignments>> C :: 171.242 CA :: 54.216 CB :: 36.873 CG :: 31.530 CE :: 19.798 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 :: 7.612 HA :: 5.295 HB2 :: 2.059 HB3 :: 2.368 HG2 :: 2.280 HG3 :: 2.678 HE1 :: 2.018 HE2 :: 2.018 HE3 :: 2.018 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 121.840 Ave N Shift Values>> N :: 120.1(3.88) 1.G135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.1 L 0.06 C Shift Assignments>> C :: 169.038 CA :: 46.066 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.131 HA2 :: 4.170 HA3 :: 3.793 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 103.089 Ave N Shift Values>> N :: 109.91(4.29) 1.V136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.69 V 0.26 I 0.04 C Shift Assignments>> C :: 175.010 CA :: 59.641 CB :: 35.700 CG1 :: 20.290 CG2 :: 23.058 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 :: 6.869 HA :: 4.915 HB :: 1.281 HG11 :: 1.277 HG12 :: 1.277 HG13 :: 1.277 HG21 :: 0.930 HG22 :: 0.930 HG23 :: 0.930 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 :: 119.165 Ave N Shift Values>> N :: 121.02(4.96) 1.G137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.67 L 0.13 C 0.09 R 0.07 F 0.01 C Shift Assignments>> C :: 172.247 CA :: 44.997 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.517 HA2 :: 4.630 HA3 :: 3.731 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.909 Ave N Shift Values>> N :: 109.91(4.29) 1.K138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.36 R 0.19 M 0.01 G 0.01 C Shift Assignments>> C :: 177.987 CA :: 59.190 CB :: 32.349 CG :: 25.119 CD :: 29.065 CE :: 42.133 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 :: 8.096 HA :: 3.808 HB2 :: 1.737 HB3 :: 1.737 HG2 :: 1.420 HG3 :: 1.420 HD2 :: 1.654 HD3 :: 1.654 HE2 :: 2.916 HE3 :: 2.969 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 :: 117.760 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.D139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.27 D 0.24 R 0.12 C 0.11 K 0.09 N 0.05 F 0.03 G 0.03 Y 0.02 HN Overlap>> 1.N167 1.N167 C Shift Assignments>> C :: 178.126 CA :: 52.837 CB :: 42.544 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 :: 8.420 HA :: 4.936 HB2 :: 2.450 HB3 :: 2.866 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 :: 116.588 Ave N Shift Values>> N :: 120.73(4.2) 1.V140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.64 C 0.34 I 0.01 C Shift Assignments>> C :: 175.288 CA :: 63.872 CB :: 31.654 CG1 :: 21.256 CG2 :: 17.611 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 :: 8.428 HA :: 3.790 HB :: 2.270 HG11 :: 0.972 HG12 :: 0.972 HG13 :: 0.972 HG21 :: 0.677 HG22 :: 0.677 HG23 :: 0.677 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 121.364 Ave N Shift Values>> N :: 121.02(4.96) 1.H141 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.41 H 0.31 W 0.27 C Shift Assignments>> C :: 176.272 CA :: 58.079 CB :: 25.859 CD2 :: 121.161 CE1 :: 134.674 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 :: 9.006 HA :: 3.929 HB2 :: 0.641(S) HB3 :: 1.463(S) HD2 :: 7.021 HE1 :: 8.629 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 :: 117.204 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.T142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.69 T 0.3 C Shift Assignments>> C :: 172.226 CA :: 60.413 CB :: 71.950 CG2 :: 24.215 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 :: 8.477 HA :: 5.173 HB :: 3.887 HG21 :: 1.344 HG22 :: 1.344 HG23 :: 1.344 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 :: 109.496 Ave N Shift Values>> N :: 115.7(5.05) 1.F143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.54 F 0.26 C 0.18 HN Overlap>> 1.E119 1.E119 C Shift Assignments>> C :: 172.485 CA :: 54.773 CB :: 44.666 CD1 :: 131.715 CD2 :: 131.715 CE1 :: 130.645 CE2 :: 130.645 CZ :: 129.342 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 :: 8.733 HA :: 5.308 HB2 :: 3.199 HB3 :: 2.439 HD1 :: 6.955 HD2 :: 6.955 HE1 :: 6.978 HE2 :: 6.978 HZ :: 7.183 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 :: 121.400 Ave N Shift Values>> N :: 120.69(4.18) 1.A144 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.72 C 0.1 L 0.09 K 0.02 R 0.01 C Shift Assignments>> C :: 174.177 CA :: 49.854 CB :: 25.201(S) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.998 HA :: 5.478 HB1 :: 0.996 HB2 :: 0.996 HB3 :: 0.996 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 127.541 Ave N Shift Values>> N :: 123.23(3.7) 1.F145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.53 C 0.33 G 0.12 C Shift Assignments>> C :: 172.464 CA :: 54.991 CB :: 43.107 CD1 :: 132.199 CD2 :: 132.199 CE1 :: 130.891 CE2 :: 130.891 CZ :: 127.733 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 :: 8.033 HA :: 5.460 HB2 :: 3.387 HB3 :: 2.720 HD1 :: 7.048 HD2 :: 7.048 HE1 :: 7.167 HE2 :: 7.167 HZ :: 6.778 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 :: 111.382 Ave N Shift Values>> N :: 120.69(4.18) 1.I146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.66 C 0.33 HN Overlap>> 1.E155 1.E155 C Shift Assignments>> C :: 173.989 CA :: 60.708 CB :: 39.940 CG1 :: 28.626 CG2 :: 18.787 CD1 :: 12.873 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.287 HA :: 5.040 HB :: 1.723 HG12 :: 0.578 HG13 :: 1.682 HG21 :: 0.848 HG22 :: 0.848 HG23 :: 0.848 HD11 :: 0.605 HD12 :: 0.605 HD13 :: 0.605 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 121.172 Ave N Shift Values>> N :: 121.6(4.72) 1.M147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.57 C 0.3 M 0.1 I 0.01 C Shift Assignments>> C :: 174.091 CA :: 53.155 CB :: 37.898 CG :: 31.695 CE :: 17.653 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 :: 9.511 HA :: 5.789 HB2 :: 2.345 HB3 :: 2.311 HG2 :: 2.696 HG3 :: 2.696 HE1 :: 2.207 HE2 :: 2.207 HE3 :: 2.207 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 123.786 Ave N Shift Values>> N :: 120.1(3.88) 1.D148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 R 0.17 D 0.16 C 0.12 G 0.1 K 0.04 F 0.02 N 0.02 Y 0.02 C Shift Assignments>> C :: 176.954 CA :: 52.920 CB :: 43.284 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 9.437 HA :: 5.032 HB2 :: 3.570 HB3 :: 2.933 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 :: 124.506 Ave N Shift Values>> N :: 120.73(4.2) 1.T149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.91 C 0.08 C Shift Assignments>> C :: 175.030 CA :: 61.989 CB :: 68.736 CG2 :: 21.996 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 :: 8.499 HA :: 4.278 HB :: 4.484 HG21 :: 1.206 HG22 :: 1.206 HG23 :: 1.206 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 :: 116.295 Ave N Shift Values>> N :: 115.7(5.05) 1.G150 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.54 L 0.17 R 0.12 C 0.1 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 173.977 CA :: 44.681 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.955 HA2 :: 4.302 HA3 :: 3.539 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 113.058 Ave N Shift Values>> N :: 109.91(4.29) 1.N151 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.42 C 0.22 Y 0.09 D 0.09 F 0.06 E 0.05 M 0.02 L 0.01 C Shift Assignments>> C :: 173.967 CA :: 53.603 CB :: 37.777 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 :: 8.771 HA :: 4.409 HB2 :: 2.581 HB3 :: 2.856 HD21 :: 6.855 HD22 :: 7.486 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 118.181 ND2 :: 112.977 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.Q152 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 K 0.28 Q 0.11 E 0.05 I 0.04 R 0.03 M 0.02 C Shift Assignments>> C :: 173.820 CA :: 56.959 CB :: 25.802 CG :: 34.961 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 :: 9.027 HA :: 3.255 HB2 :: 2.228 HB3 :: 2.147 HG2 :: 2.269 HG3 :: 2.269 HE21 :: 7.717 HE22 :: 6.808 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 :: 112.274 NE2 :: 112.963 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.R153 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.48 C 0.32 K 0.08 G 0.08 L 0.02 C Shift Assignments>> C :: 174.805 CA :: 54.627 CB :: 30.207 CG :: 27.105 CD :: 43.284 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 :: 6.833 HA :: 4.294 HB2 :: 1.659 HB3 :: 1.659 HG2 :: 1.386 HG3 :: 1.531 HD2 :: 3.116 HD3 :: 3.116 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 :: 118.100 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.F154 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.63 C 0.36 C Shift Assignments>> C :: 176.274 CA :: 56.429 CB :: 41.078 CD1 :: 131.456 CD2 :: 131.456 CE1 :: 131.326 CE2 :: 131.326 CZ :: 129.342 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 :: 8.284 HA :: 5.600 HB2 :: 2.831 HB3 :: 2.661 HD1 :: 6.896 HD2 :: 6.896 HE1 :: 7.278 HE2 :: 7.278 HZ :: 7.258 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 :: 123.410 Ave N Shift Values>> N :: 120.69(4.18) 1.E155 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.72 M 0.17 E 0.09 HN Overlap>> 1.I146 1.I146 C Shift Assignments>> C :: 174.186 CA :: 54.873 CB :: 34.128 CG :: 36.453 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 :: 9.256 HA :: 4.622 HB2 :: 1.919 HB3 :: 1.658 HG2 :: 2.199 HG3 :: 2.260 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 :: 121.130 Ave N Shift Values>> N :: 120.68(3.68) 1.C156 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.15 H 0.14 K 0.14 W 0.12 E 0.12 C 0.11 R 0.1 M 0.03 I 0.02 L 0.02 C Shift Assignments>> C :: 172.641 CA :: 56.410 CB :: 29.229 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.928 HA :: 5.446 HB2 :: 2.616 HB3 :: 2.411 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 124.128 Ave N Shift Values>> N :: 119.95(4.79) 1.H157 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.71 H 0.2 W 0.07 C Shift Assignments>> C :: 174.289 CA :: 55.613 CB :: 33.996 CD2 :: 116.380 CE1 :: 138.925 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 :: 8.417 HA :: 4.698 HB2 :: 2.600 HB3 :: 1.719 HD2 :: 6.496 HE1 :: 7.701 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 :: 128.812 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.V158 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 V 0.46 C Shift Assignments>> C :: 173.447 CA :: 61.570 CB :: 33.609 CG1 :: 24.051 CG2 :: 22.571 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 :: 7.565 HA :: 4.575 HB :: 1.418 HG11 :: 0.848 HG12 :: 0.848 HG13 :: 0.848 HG21 :: 0.599 HG22 :: 0.599 HG23 :: 0.599 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 :: 119.766 Ave N Shift Values>> N :: 121.02(4.96) 1.F159 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.5 C 0.36 G 0.13 C Shift Assignments>> C :: 173.373 CA :: 56.785 CB :: 43.250 CD1 :: 132.363 CD2 :: 132.363 CE1 :: 131.534 CE2 :: 131.534 CZ :: 128.033 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 9.494 HA :: 5.432 HB2 :: 3.211 HB3 :: 2.790 HD1 :: 7.249 HD2 :: 7.249 HE1 :: 6.899 HE2 :: 6.899 HZ :: 6.778 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 :: 124.075 Ave N Shift Values>> N :: 120.69(4.18) 1.W160 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.49 C 0.45 H 0.04 C Shift Assignments>> C :: 176.115 CA :: 56.846 CB :: 31.239 CD1 :: 127.288 CE3 :: 120.457 CZ2 :: 114.154 CZ3 :: 121.407 CH2 :: 124.611 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 :: 9.298 HA :: 4.887 HB2 :: 3.206 HB3 :: 2.914 HD1 :: 7.299 HE1 :: 10.657 HE3 :: 7.240 HZ2 :: 6.556 HZ3 :: 7.008 HH2 :: 7.158 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 :: 122.425 NE1 :: 131.726 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.C161 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.14 W 0.13 E 0.13 H 0.13 C 0.13 Q 0.1 M 0.09 K 0.08 V 0.01 I 0.01 C Shift Assignments>> C :: 172.985 CA :: 57.093 CB :: 30.800 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 9.319 HA :: 4.824 HB2 :: 2.804 HB3 :: 2.383 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 129.675 Ave N Shift Values>> N :: 119.95(4.79) 1.E162 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 M 0.27 E 0.16 Q 0.14 K 0.06 C Shift Assignments>> C :: 176.749 CA :: 53.229 CB :: 30.955 CG :: 35.030 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 :: 8.824 HA :: 4.679 HB2 :: 1.934 HB3 :: 2.165 HG2 :: 2.649 HG3 :: 2.490 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 :: 120.027 Ave N Shift Values>> N :: 120.68(3.68) 1.P163 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.54 C 0.44 C Shift Assignments>> C :: 175.326 CA :: 64.284 CB :: 33.832 CG :: 24.708 CD :: 49.821 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 :: 5.096 HB2 :: 2.491 HB3 :: 2.152 HG2 :: 2.108 HG3 :: 1.788 HD2 :: 3.577 HD3 :: 3.888 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) 1.N164 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.51 C 0.16 D 0.15 Y 0.06 F 0.04 L 0.02 E 0.01 C Shift Assignments>> C :: 174.378 CA :: 52.490 CB :: 38.517 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 :: 7.399 HA :: 3.833 HB2 :: 2.932 HB3 :: 2.244 HD21 :: 7.806 HD22 :: 7.331 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 :: 110.808 ND2 :: 117.655 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.A165 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.66 M 0.2 L 0.06 C 0.05 C Shift Assignments>> C :: 177.735 CA :: 52.579 CB :: 20.681 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.575 HA :: 4.185 HB1 :: 1.270 HB2 :: 1.270 HB3 :: 1.270 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 116.029 Ave N Shift Values>> N :: 123.23(3.7) 1.A166 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.58 I 0.23 A 0.06 V 0.04 C 0.04 T 0.01 C Shift Assignments>> C :: 177.664 CA :: 57.665 CB :: 18.288 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.089 HA :: 3.583 HB1 :: 1.387 HB2 :: 1.387 HB3 :: 1.387 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.400 Ave N Shift Values>> N :: 123.23(3.7) 1.N167 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 E 0.2 Y 0.18 F 0.1 N 0.08 M 0.04 I 0.04 D 0.02 K 0.02 HN Overlap>> 1.D139 1.D139 C Shift Assignments>> C :: 178.191 CA :: 56.271 CB :: 37.228 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 :: 8.473 HA :: 4.253 HB2 :: 2.856 HB3 :: 2.752 HD21 :: 7.005 HD22 :: 7.674 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 :: 116.543 ND2 :: 111.279 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.V168 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.92 C 0.07 C Shift Assignments>> C :: 176.115 CA :: 65.420 CB :: 31.639 CG1 :: 20.845 CG2 :: 22.900 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 :: 8.159 HA :: 2.179(S) HB :: 1.058 HG11 :: -0.169(S) HG12 :: -0.169(S) HG13 :: -0.169(S) HG21 :: 0.146 HG22 :: 0.146 HG23 :: 0.146 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 121.938 Ave N Shift Values>> N :: 121.02(4.96) 1.S169 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.134 CA :: 61.120 CB :: 63.586 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.273 HA :: 3.179 HB2 :: 3.654 HB3 :: 3.566 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 :: 111.883 Ave N Shift Values>> N :: 116.3(3.95) 1.E170 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 E 0.31 I 0.19 K 0.08 Q 0.04 M 0.02 C Shift Assignments>> C :: 178.121 CA :: 59.805 CB :: 29.393 CG :: 35.887 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 :: 7.889 HA :: 3.636 HB2 :: 1.740 HB3 :: 1.457 HG2 :: 1.825 HG3 :: 1.679 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 :: 122.402 Ave N Shift Values>> N :: 120.68(3.68) 1.A171 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.45 M 0.45 C 0.03 I 0.01 V 0.01 L 0.01 C Shift Assignments>> C :: 180.004 CA :: 54.798 CB :: 19.113 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.452 HA :: 4.047 HB1 :: 1.418 HB2 :: 1.418 HB3 :: 1.418 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.178 Ave N Shift Values>> N :: 123.23(3.7) 1.V172 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.93 C 0.06 C Shift Assignments>> C :: 177.766 CA :: 66.942 CB :: 31.037 CG1 :: 22.791 CG2 :: 23.527 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 :: 7.949 HA :: 3.310 HB :: 1.833 HG11 :: 0.698 HG12 :: 0.698 HG13 :: 0.698 HG21 :: 0.699 HG22 :: 0.699 HG23 :: 0.699 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 117.814 Ave N Shift Values>> N :: 121.02(4.96) 1.Q173 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.32 K 0.24 Q 0.15 R 0.13 P 0.06 E 0.03 M 0.03 I 0.02 HN Overlap>> 1.V11 1.V11 C Shift Assignments>> C :: 178.634 CA :: 60.094 CB :: 28.489 CG :: 32.809 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 :: 8.008 HA :: 3.595 HB2 :: 1.925 HB3 :: 1.793 HG2 :: 1.592 HG3 :: 1.078(S) HE21 :: 5.668 HE22 :: 6.417 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 :: 119.551 NE2 :: 108.458 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.A174 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.57 M 0.38 C 0.02 I 0.01 C Shift Assignments>> C :: 177.673 CA :: 53.804 CB :: 18.172 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.938 HA :: 4.039 HB1 :: 1.409 HB2 :: 1.409 HB3 :: 1.409 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.299 Ave N Shift Values>> N :: 123.23(3.7) 1.A175 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.77 M 0.19 C 0.02 C Shift Assignments>> C :: 177.167 CA :: 52.325 CB :: 18.989 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.318 HA :: 4.273 HB1 :: 1.342 HB2 :: 1.342 HB3 :: 1.342 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.890 Ave N Shift Values>> N :: 123.23(3.7) 1.C176 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.42 P 0.16 V 0.13 C 0.12 W 0.07 E 0.02 R 0.01 K 0.01 H 0.01 C Shift Assignments>> C :: 179.582 CA :: 63.093 CB :: 29.298 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.099 HA :: 4.065 HB2 :: 3.177 HB3 :: 3.308 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 121.001 Ave N Shift Values>> N :: 119.95(4.79) ########################################################################### Overall Results: #Consistent: 163 #Clerical: 0 #Suspicious: 12 #Anomalous: 1 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 158 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 18 Shift Relative Order (SRO) Results: #Consistent: 174 #Suspicious: 2 C Shift Results: #Consistent: 695 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent:1085 #Duplicate: 0 #Unknown: 0 #Suspicious: 18 #Anomalous: 1 N Shift Results: #Consistent: 170 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.N28 HD22 = 9.327(S), Expected = 7.20, Std = 0.5200, ChiSquare = 4.3066e-05 1.Q67 HA = 5.789(S), Expected = 4.28, Std = 0.4400, ChiSquare = 6.0459e-04 1.L69 HG = -0.884(S), Expected = 1.54, Std = 0.3300, ChiSquare = 2.0506e-13 1.G70 H = 5.498(S), Expected = 8.34, Std = 0.7400, ChiSquare = 1.2276e-04 1.G70 HA3 = 2.299(S), Expected = 3.93, Std = 0.4000, ChiSquare = 4.5523e-05 1.G79 H = 3.398(S), Expected = 8.34, Std = 0.7400, ChiSquare = 2.4160e-11 1.G79 SRO Rule Break>> H > HA2 : 0.99798460974716 1.K96 HA = 1.305(S), Expected = 4.28, Std = 0.4500, ChiSquare = 3.8145e-11 1.K96 HB2 = 0.883(S), Expected = 1.79, Std = 0.2500, ChiSquare = 2.8563e-04 1.K96 HB3 = 0.714(S), Expected = 1.78, Std = 0.2600, ChiSquare = 4.1315e-05 1.K96 SRO Rule Break>> HA > HE2 : 0.99351606248158 1.K96 SRO Rule Break>> HA > HE3 : 0.993548387096774 1.R129 HG3 = 0.486(S), Expected = 1.58, Std = 0.2700, ChiSquare = 5.0814e-05 1.F130 HB2 = 4.411(A), Expected = 2.99, Std = 0.3700, ChiSquare = 1.2276e-04 1.S132 HB3 = 2.267(S), Expected = 3.87, Std = 0.3100, ChiSquare = 2.3288e-07 1.H141 HB2 = 0.641(S), Expected = 3.12, Std = 0.4300, ChiSquare = 8.1602e-09 1.H141 HB3 = 1.463(S), Expected = 3.11, Std = 0.4500, ChiSquare = 2.5222e-04 1.A144 CB = 25.201(S), Expected = 18.90, Std = 1.8500, ChiSquare = 6.5935e-04 1.V168 HA = 2.179(S), Expected = 4.16, Std = 0.5700, ChiSquare = 5.1002e-04 1.V168 HG11 = -0.169(S), Expected = 0.84, Std = 0.2700, ChiSquare = 1.8620e-04 1.V168 HG12 = -0.169(S), Expected = 0.84, Std = 0.2700, ChiSquare = 1.8620e-04 1.V168 HG13 = -0.169(S), Expected = 0.84, Std = 0.2700, ChiSquare = 1.8620e-04 1.Q173 HG3 = 1.078(S), Expected = 2.32, Std = 0.2900, ChiSquare = 1.8459e-05