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.N2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> N 0.24 A 0.22 D 0.13 L 0.07 M 0.05 H 0.04 R 0.03 C 0.03 Q 0.03 K 0.02 W 0.02 F 0.01 E 0.01 Y 0.01 C Shift Assignments>> C :: 175.6680 CA :: 53.4353 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> HA :: 4.7509 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) 1.G3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> C :: 174.1350 CA :: 45.5812 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.3676 HA2 :: 3.9493 HA3 :: 3.9493 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.6097 Ave N Shift Values>> N :: 109.67(3.87) 1.K4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.47 C 0.41 R 0.05 Q 0.03 V 0.01 HN Overlap>> 1.V9 1.E124 1.V9 1.E124 1.E140 1.E140 C Shift Assignments>> C :: 176.3540 CA :: 56.6009 CB :: 32.9203 CG :: 24.6447 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.1117 HA :: 4.2219 HB2 :: 1.6219 HB3 :: 1.6219 HG2 :: 1.2564 HG3 :: 1.1817 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.8600 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Y5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.3 F 0.26 C 0.18 I 0.12 D 0.03 L 0.02 E 0.02 N 0.01 C Shift Assignments>> C :: 175.5380 CA :: 57.9973 CB :: 38.7962 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.0995 HA :: 4.5326 HB2 :: 2.9771 HB3 :: 2.8831 HD1 :: 7.0312 HD2 :: 7.0312 HE1 :: 6.8034 HE2 :: 6.8034 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 120.3825 Ave N Shift Values>> N :: 120.52(4.2) 1.F6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.29 Y 0.28 C 0.14 I 0.09 D 0.07 L 0.07 N 0.01 C Shift Assignments>> C :: 175.5160 CA :: 57.7645 CB :: 39.7684 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.0720 HA :: 4.6088 HB2 :: 3.1447 HB3 :: 3.0104 HD1 :: 7.2620 HD2 :: 7.2620 HE1 :: 7.3229 HE2 :: 7.3229 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 121.5744 Ave N Shift Values>> N :: 120.45(4.18) 1.S7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.3770 CA :: 58.3102 CB :: 63.9723 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.1908 HA :: 4.4105 HB2 :: 3.8921 HB3 :: 3.8483 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 117.3433 Ave N Shift Values>> N :: 116.28(3.52) 1.K8 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent C Shift Assignments>> C :: 176.8280 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.3183 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 123.5608 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.71 C 0.28 HN Overlap>> 1.K4 1.E140 1.K4 1.E140 C Shift Assignments>> C :: 176.6490 CA :: 62.8179 CB :: 32.6032 CG1 :: 21.1127 CG2 :: 20.9259 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.1334 HA :: 4.1359 HB :: 2.0880 HG11 :: 0.9573 HG12 :: 0.9573 HG13 :: 0.9573 HG21 :: 0.9910 HG22 :: 0.9910 HG23 :: 0.9910 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.7927 Ave N Shift Values>> N :: 121.14(4.54) 1.G10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.08 C 0.02 C Shift Assignments>> C :: 174.5400 CA :: 45.4516 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.4513 HA2 :: 4.0964 HA3 :: 4.0964 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.5543 Ave N Shift Values>> N :: 109.67(3.87) 1.S11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.5760 CA :: 59.3560 CB :: 63.6191 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.3132 HA :: 4.3985 HB2 :: 3.9799 HB3 :: 3.9143 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.0797 Ave N Shift Values>> N :: 116.28(3.52) 1.A12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.63 M 0.32 C 0.02 I 0.01 C Shift Assignments>> C :: 179.4230 CA :: 54.2574 CB :: 18.6741 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.4716 HA :: 4.2645 HB1 :: 1.4787 HB2 :: 1.4787 HB3 :: 1.4787 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.8862 Ave N Shift Values>> N :: 123.23(3.54) 1.G13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.05 C 0.04 C Shift Assignments>> C :: 174.9440 CA :: 46.4395 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.3476 HA2 :: 3.8045 HA3 :: 3.8661 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.3948 Ave N Shift Values>> N :: 109.67(3.87) 1.L14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 C 0.39 R 0.03 C Shift Assignments>> C :: 178.5640 CA :: 57.4374 CB :: 41.6191 CG :: 27.2499 CD1 :: 25.3045 CD2 :: 24.2677 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.8771 HA :: 4.0745 HB2 :: 1.8269 HB3 :: 1.5695 HG :: 1.6182 HD11 :: 0.6585 HD12 :: 0.6585 HD13 :: 0.6585 HD21 :: 0.6761 HD22 :: 0.6761 HD23 :: 0.6761 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.4352 Ave N Shift Values>> N :: 121.86(3.9) 1.K15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 K 0.39 R 0.08 V 0.02 Q 0.01 HN Overlap>> 1.K47 1.D137 1.K47 1.D137 C Shift Assignments>> C :: 178.1050 CA :: 58.8744 CB :: 32.1331 CG :: 25.0168 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.9678 HA :: 4.1737 HB2 :: 1.8851 HB3 :: 1.8406 HG2 :: 1.4298 HG3 :: 1.4298 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.8335 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 Q 0.22 K 0.2 E 0.1 I 0.05 R 0.04 C Shift Assignments>> C :: 179.0950 CA :: 59.1054 CB :: 28.2242 CG :: 34.3675 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.0085 HA :: 4.0670 HB2 :: 2.0979 HB3 :: 1.9302 HG2 :: 2.3863 HG3 :: 2.3863 HE21 :: 6.7687 HE22 :: 7.3647 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 117.0825 NE2 :: 110.8885 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 L 0.34 K 0.13 G 0.02 HN Overlap>> 1.I138 1.I138 C Shift Assignments>> C :: 178.2600 CA :: 58.0672 CB :: 42.3542 CD1 :: 23.7355 CD2 :: 26.5590 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.7052 HA :: 4.3096 HB2 :: 1.9019 HB3 :: 1.5614 HD11 :: 0.7490 HD12 :: 0.7490 HD13 :: 0.7490 HD21 :: 0.7374 HD22 :: 0.7374 HD23 :: 0.7374 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.6313 Ave N Shift Values>> N :: 121.86(3.9) 1.T18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.84 C 0.15 C Shift Assignments>> C :: 177.7010 CA :: 66.4643 CB :: 66.9542 CG2 :: 22.8173 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.7484 HA :: 3.6690 HB :: 4.2080 HG21 :: 1.2602 HG22 :: 1.2602 HG23 :: 1.2602 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 110.8300 Ave N Shift Values>> N :: 115.42(4.75) 1.N19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.22 F 0.18 C 0.17 N 0.17 D 0.09 E 0.04 L 0.04 I 0.03 M 0.02 C Shift Assignments>> C :: 178.4020 CA :: 55.8546 CB :: 38.3492 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.3070 HA :: 4.6135 HB2 :: 2.9802 HB3 :: 2.7970 HD21 :: 6.9370 HD22 :: 7.6953 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 119.9029 ND2 :: 111.6146 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 K 0.44 C Shift Assignments>> C :: 178.1460 CA :: 57.2531 CB :: 32.0065 CG :: 24.2421 CD :: 27.7128 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.5727 HA :: 4.2113 HB2 :: 2.0519 HB3 :: 2.0519 HG2 :: 1.5776 HG3 :: 1.3865 HD2 :: 1.7862 HD3 :: 1.7102 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.0301 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.34 C 0.32 A 0.26 R 0.04 G 0.01 HN Overlap>> 1.L122 1.L122 C Shift Assignments>> C :: 175.0690 CA :: 54.9082 CB :: 42.2426 CG :: 26.2683 CD1 :: 21.4400 CD2 :: 25.6191 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.9124 HA :: 4.1454 HB2 :: 1.6088 HB3 :: 1.5507 HG :: 1.8577 HD11 :: 0.7388 HD12 :: 0.7388 HD13 :: 0.7388 HD21 :: 0.6550 HD22 :: 0.6550 HD23 :: 0.6550 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 116.6354 Ave N Shift Values>> N :: 121.86(3.9) 1.D22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.25 D 0.2 Y 0.15 F 0.15 C 0.11 L 0.08 I 0.01 C Shift Assignments>> C :: 174.7610 CA :: 54.9493 CB :: 39.2214 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.8124 HA :: 4.3730 HB2 :: 3.1812 HB3 :: 2.3938 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 117.9740 Ave N Shift Values>> N :: 120.65(3.86) 1.I23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 I 0.49 C Shift Assignments>> C :: 175.1110 CA :: 59.0951 CB :: 40.8557 CG1 :: 25.0354 CG2 :: 17.8467 CD1 :: 13.9570 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.6983 HA :: 4.6877 HB :: 2.0952 HG12 :: 1.4333 HG13 :: 0.9486 HG21 :: 0.8792 HG22 :: 0.8792 HG23 :: 0.8792 HD11 :: 0.7139 HD12 :: 0.7139 HD13 :: 0.7139 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 111.6758 Ave N Shift Values>> N :: 121.46(4.28) 1.N24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.47 D 0.2 C 0.08 F 0.08 Y 0.07 L 0.05 C Shift Assignments>> C :: 174.0940 CA :: 53.3699 CB :: 39.0158 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.2455 HA :: 4.4195 HB2 :: 2.7458 HB3 :: 2.5435 HD21 :: 6.9179 HD22 :: 7.8386 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 119.2236 ND2 :: 114.0199 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.41 C 0.37 I 0.06 K 0.05 M 0.05 Q 0.03 C Shift Assignments>> C :: 176.4680 CA :: 57.5376 CB :: 29.9850 CG :: 36.6153 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.0176 HA :: 4.0968 HB2 :: 1.9211 HB3 :: 1.8950 HG2 :: 2.3312 HG3 :: 2.1888 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 117.6812 Ave N Shift Values>> N :: 120.67(3.48) 1.C26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.2 K 0.18 M 0.14 Q 0.13 R 0.08 H 0.06 W 0.06 V 0.06 E 0.04 C Shift Assignments>> C :: 173.0140 CA :: 58.0576 CB :: 33.0207 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.4714 HA :: 4.8096 HB2 :: 2.6937 HB3 :: 2.6347 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 120.3357 Ave N Shift Values>> N :: 120.17(4.64) 1.A27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.77 L 0.13 C 0.06 M 0.01 C Shift Assignments>> C :: 177.5920 CA :: 52.7835 CB :: 21.0695 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.1333 HA :: 4.4493 HB1 :: 1.5080 HB2 :: 1.5080 HB3 :: 1.5080 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.6221 Ave N Shift Values>> N :: 123.23(3.54) 1.T28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.75 T 0.19 A 0.04 C Shift Assignments>> C :: 174.6980 CA :: 58.2441 CB :: 73.5184 CG2 :: 21.6836 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.1676 HA :: 4.7313 HB :: 4.6242 HG21 :: 1.1827 HG22 :: 1.1827 HG23 :: 1.1827 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 104.7794 Ave N Shift Values>> N :: 115.42(4.75) 1.V29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.83 C 0.16 C Shift Assignments>> C :: 176.8060 CA :: 66.4280 CB :: 31.5757 CG1 :: 23.8277 CG2 :: 21.1893 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.9529 HA :: 3.5440 HB :: 2.0266 HG11 :: 1.0875 HG12 :: 1.0875 HG13 :: 1.0875 HG21 :: 0.8513 HG22 :: 0.8513 HG23 :: 0.8513 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.7516 Ave N Shift Values>> N :: 121.14(4.54) 1.D30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.29 Y 0.26 C 0.12 L 0.09 D 0.08 I 0.07 K 0.04 N 0.01 C Shift Assignments>> C :: 178.6600 CA :: 57.8821 CB :: 40.3196 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.0674 HA :: 4.1963 HB2 :: 2.6924 HB3 :: 2.5058 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.1149 Ave N Shift Values>> N :: 120.65(3.86) 1.E31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 E 0.36 I 0.12 M 0.03 K 0.02 Q 0.01 C Shift Assignments>> C :: 178.5730 CA :: 59.1076 CB :: 30.2913 CG :: 36.8745 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.6940 HA :: 4.0698 HB2 :: 2.2209 HB3 :: 2.0836 HG2 :: 2.4270 HG3 :: 2.3880 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.0543 Ave N Shift Values>> N :: 120.67(3.48) 1.L32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 L 0.38 R 0.13 G 0.01 HN Overlap>> 1.V114 1.V114 C Shift Assignments>> C :: 178.2010 CA :: 58.3266 CB :: 42.1106 CG :: 26.8179 CD1 :: 26.9522 CD2 :: 25.1690 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.6793 HA :: 4.3990 HB2 :: 1.9834 HB3 :: 1.4609 HG :: 1.4857 HD11 :: 0.7269 HD12 :: 0.7269 HD13 :: 0.7269 HD21 :: 0.7993 HD22 :: 0.7993 HD23 :: 0.7993 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.6049 Ave N Shift Values>> N :: 121.86(3.9) 1.V33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.83 C 0.16 HN Overlap>> 1.E57 1.E57 C Shift Assignments>> C :: 177.0620 CA :: 67.6007 CB :: 31.5955 CG1 :: 21.2162 CG2 :: 24.4193 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.4540 HA :: 3.2601 HB :: 2.1813 HG11 :: 0.8393 HG12 :: 0.8393 HG13 :: 0.8393 HG21 :: 0.9672 HG22 :: 0.9672 HG23 :: 0.9672 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.1936 Ave N Shift Values>> N :: 121.14(4.54) 1.D34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.27 Y 0.24 L 0.11 C 0.11 D 0.1 K 0.06 I 0.05 N 0.01 C Shift Assignments>> C :: 178.8960 CA :: 57.5317 CB :: 40.4655 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.4599 HA :: 4.3976 HB2 :: 2.8081 HB3 :: 2.6616 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 118.4767 Ave N Shift Values>> N :: 120.65(3.86) 1.E35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 E 0.27 Y 0.11 I 0.09 F 0.06 M 0.06 K 0.04 V 0.02 Q 0.01 C Shift Assignments>> C :: 180.0980 CA :: 58.8492 CG :: 36.1643 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.1734 HA :: 4.0134 HG2 :: 2.4187 HG3 :: 2.1847 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.4816 Ave N Shift Values>> N :: 120.67(3.48) 1.I36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.86 C 0.13 C Shift Assignments>> C :: 177.3170 CA :: 65.9956 CB :: 37.5609 CG1 :: 29.6436 CG2 :: 17.8765 CD1 :: 14.9129 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.6550 HA :: 3.4782 HB :: 1.7859 HG12 :: 1.8618 HG13 :: 0.7385 HG21 :: 0.7262 HG22 :: 0.7262 HG23 :: 0.7262 HD11 :: 0.6280 HD12 :: 0.6280 HD13 :: 0.6280 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 121.3776 Ave N Shift Values>> N :: 121.46(4.28) 1.N37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.29 Y 0.16 C 0.14 F 0.14 D 0.12 L 0.04 E 0.03 I 0.01 M 0.01 HN Overlap>> 1.T41 1.T41 C Shift Assignments>> C :: 177.2750 CA :: 55.0048 CB :: 38.4529 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.1903 HA :: 4.4709 HB2 :: 2.8491 HB3 :: 2.7513 HD21 :: 6.6262 HD22 :: 7.4893 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 115.1404 ND2 :: 111.2613 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 K 0.41 Q 0.08 R 0.07 C Shift Assignments>> C :: 176.5490 CA :: 57.4795 CB :: 33.5351 CG :: 25.3056 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.2850 HA :: 4.2642 HB2 :: 2.0011 HB3 :: 1.8850 HG2 :: 1.7014 HG3 :: 1.4582 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 116.7407 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.3380 CA :: 55.6303 CB :: 63.3045 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.7275 HA :: 4.9139 HB2 :: 3.8614 HB3 :: 3.8614 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.6058 Ave N Shift Values>> N :: 116.28(3.52) 1.G40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.66 C 0.1 P 0.09 A 0.06 L 0.03 N 0.02 C Shift Assignments>> C :: 176.5860 CA :: 47.7822 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.0013 HA2 :: 4.0809 HA3 :: 3.8940 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 116.5264 Ave N Shift Values>> N :: 109.67(3.87) 1.T41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.95 C 0.04 HN Overlap>> 1.N37 1.N37 C Shift Assignments>> C :: 176.9630 CA :: 65.5861 CB :: 68.5603 CG2 :: 22.0975 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.2332 HA :: 4.0426 HB :: 4.1262 HG21 :: 1.2943 HG22 :: 1.2943 HG23 :: 1.2943 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 115.1389 Ave N Shift Values>> N :: 115.42(4.75) 1.V42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.72 C 0.27 C Shift Assignments>> C :: 177.3800 CA :: 66.2254 CB :: 31.6319 CG1 :: 23.8183 CG2 :: 23.2811 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.7613 HA :: 3.7049 HB :: 2.1892 HG11 :: 1.0313 HG12 :: 1.0313 HG13 :: 1.0313 HG21 :: 1.1102 HG22 :: 1.1102 HG23 :: 1.1102 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 124.2880 Ave N Shift Values>> N :: 121.14(4.54) 1.K43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 P 0.31 R 0.11 K 0.08 Q 0.02 I 0.01 C Shift Assignments>> C :: 177.8510 CA :: 61.2585 CB :: 32.3340 CG :: 26.4413 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.4155 HA :: 3.6879 HB2 :: 2.0326 HB3 :: 1.9852 HG2 :: 1.6195 HG3 :: 1.3962 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.6389 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 R 0.33 K 0.12 P 0.01 M 0.01 C Shift Assignments>> C :: 177.9210 CA :: 59.5187 CB :: 30.1372 CG :: 27.9922 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.7674 HA :: 3.9490 HB2 :: 1.9431 HB3 :: 1.8802 HG2 :: 1.7829 HG3 :: 1.6316 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 116.4549 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.K45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 K 0.43 C Shift Assignments>> C :: 178.4890 CA :: 59.5101 CB :: 32.5874 CG :: 25.0574 CD :: 29.8139 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.4958 HA :: 4.1060 HB2 :: 2.0294 HB3 :: 1.9822 HG2 :: 1.6043 HG3 :: 1.2551 HD2 :: 1.7009 HD3 :: 1.5982 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.8607 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.75 C 0.24 C Shift Assignments>> C :: 176.6810 CA :: 62.8880 CB :: 37.4763 CG1 :: 28.6966 CG2 :: 17.7983 CD1 :: 12.9122 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.9855 HA :: 3.9003 HB :: 1.9585 HG12 :: 1.6058 HG13 :: 1.3918 HG21 :: 1.0183 HG22 :: 1.0183 HG23 :: 1.0183 HD11 :: 0.7488 HD12 :: 0.7488 HD13 :: 0.7488 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 115.4780 Ave N Shift Values>> N :: 121.46(4.28) 1.K47 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.52 K 0.47 HN Overlap>> 1.K15 1.K15 1.D137 1.D137 C Shift Assignments>> C :: 178.1970 CA :: 59.4326 CB :: 32.7828 CG :: 24.5777 CD :: 29.1916 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.0236 HA :: 3.3567 HB2 :: 1.6581 HB3 :: 1.5183 HG2 :: 0.9518 HG3 :: 0.3850(S) HD2 :: 1.3312 HD3 :: 1.2839 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.7426 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.3 D 0.27 F 0.11 L 0.11 Y 0.1 C 0.08 C Shift Assignments>> C :: 174.7720 CA :: 54.1012 CB :: 39.6888 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.5084 HA :: 4.5910 HB2 :: 2.9106 HB3 :: 2.7810 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 113.0849 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Q49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.38 C 0.29 Q 0.15 E 0.15 K 0.01 C Shift Assignments>> C :: 175.0350 CA :: 55.0019 CB :: 31.8016 CG :: 34.8104 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.5991 HA :: 4.6485 HB2 :: 2.0404 HB3 :: 1.9737 HG2 :: 2.5445 HG3 :: 2.4857 HE21 :: 6.8315 HE22 :: 7.2565 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.4435 NE2 :: 109.2037 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.S50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.9320 CA :: 57.5450 CB :: 64.5676 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.2223 HA :: 4.4067 HB2 :: 4.5192 HB3 :: 4.1425 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 120.0621 Ave N Shift Values>> N :: 116.28(3.52) 1.A51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.55 A 0.34 I 0.05 C 0.03 C Shift Assignments>> C :: 180.3760 CA :: 55.6288 CB :: 18.3828 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.2920 HA :: 3.9483 HB1 :: 1.0541 HB2 :: 1.0541 HB3 :: 1.0541 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.4248 Ave N Shift Values>> N :: 123.23(3.54) 1.F52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.49 F 0.18 Y 0.15 C 0.15 C Shift Assignments>> C :: 175.6530 CA :: 62.4675 CB :: 40.4791 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.9164 HA :: 4.3624 HB2 :: 3.4403 HB3 :: 3.2231 HD1 :: 7.1725 HD2 :: 7.1725 HE1 :: 7.0931 HE2 :: 7.0931 HZ :: 6.9724 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 120.4704 Ave N Shift Values>> N :: 120.45(4.18) 1.D53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.22 F 0.2 Y 0.15 L 0.15 C 0.08 D 0.08 R 0.04 I 0.03 C Shift Assignments>> C :: 178.3390 CA :: 57.6966 CB :: 41.5145 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.0765 HA :: 4.3690 HB2 :: 2.8253 HB3 :: 2.7807 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.5378 Ave N Shift Values>> N :: 120.65(3.86) 1.L54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 L 0.42 R 0.11 C Shift Assignments>> C :: 179.2980 CA :: 58.1817 CB :: 42.1123 CG :: 27.5675 CD1 :: 24.2197 CD2 :: 25.7476 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.6181 HA :: 4.0034 HB2 :: 1.5483 HB3 :: 1.4641 HG :: 1.4369 HD11 :: 0.8106 HD12 :: 0.8106 HD13 :: 0.8106 HD21 :: 0.7615 HD22 :: 0.7615 HD23 :: 0.7615 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.5681 Ave N Shift Values>> N :: 121.86(3.9) 1.S55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.2130 CA :: 63.1898 CB :: 63.4228 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.9278 HA :: 3.8915 HB2 :: 3.2597 HB3 :: 3.2597 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.6789 Ave N Shift Values>> N :: 116.28(3.52) 1.R56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 R 0.22 K 0.15 L 0.04 C Shift Assignments>> C :: 178.7240 CA :: 60.0755 CB :: 28.2981 CG :: 26.6512 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.8781 HA :: 3.4508 HB2 :: 1.7203 HB3 :: 1.1254 HG2 :: 1.4076 HG3 :: 1.4076 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 119.9036 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.E57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 E 0.35 I 0.17 K 0.04 Q 0.01 M 0.01 HN Overlap>> 1.V33 1.V33 C Shift Assignments>> C :: 180.0320 CA :: 59.4202 CB :: 29.7078 CG :: 36.5473 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.3931 HA :: 3.8957 HB2 :: 2.1917 HB3 :: 2.0396 HG2 :: 2.3934 HG3 :: 2.0918 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.2249 Ave N Shift Values>> N :: 120.67(3.48) 1.C58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.49 I 0.36 C 0.1 W 0.01 C Shift Assignments>> C :: 175.1990 CA :: 63.2970 CB :: 26.7893 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.1326 HA :: 3.9503 HB2 :: 3.1251 HB3 :: 2.5397 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 116.5923 Ave N Shift Values>> N :: 120.17(4.64) 1.L59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 C 0.31 A 0.06 R 0.03 C Shift Assignments>> C :: 177.3550 CA :: 54.7661 CB :: 41.4538 CG :: 27.3684 CD1 :: 22.7669 CD2 :: 25.3865 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 6.9634 HA :: 4.0490 HB2 :: 1.0439 HB3 :: 0.8883 HG :: 1.5518 HD11 :: 0.7369 HD12 :: 0.7369 HD13 :: 0.7369 HD21 :: 0.8645 HD22 :: 0.8645 HD23 :: 0.8645 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 117.9596 Ave N Shift Values>> N :: 121.86(3.9) 1.G60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> C :: 174.7170 CA :: 45.8035 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.6658 HA2 :: 3.8833 HA3 :: 3.7348 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.5521 Ave N Shift Values>> N :: 109.67(3.87) 1.Y61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.48 C 0.17 E 0.08 Y 0.07 M 0.05 F 0.05 D 0.04 L 0.01 C Shift Assignments>> CA :: 53.3850 CB :: 37.1833 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 6.6899 HA :: 5.0678 HB2 :: 2.9812 HB3 :: 2.4220 HD1 :: 6.7644 HD2 :: 6.7644 HE1 :: 6.7287 HE2 :: 6.7287 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 118.3403 Ave N Shift Values>> N :: 120.52(4.2) 1.P62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.67 C 0.32 C Shift Assignments>> C :: 177.6380 CA :: 62.8052 CB :: 32.1067 CG :: 28.1328 CD :: 51.0485 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.4860 HB2 :: 2.4502 HB3 :: 2.0919 HG2 :: 2.2700 HG3 :: 2.1740 HD2 :: 4.2432 HD3 :: 3.6903 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.E63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 I 0.26 E 0.21 M 0.01 K 0.01 C Shift Assignments>> C :: 177.5890 CA :: 61.3601 CB :: 30.3455 CG :: 36.6416 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.8963 HA :: 3.7635 HB2 :: 2.0973 HB3 :: 2.0358 HG2 :: 2.3064 HG3 :: 2.2482 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 125.3440 Ave N Shift Values>> N :: 120.67(3.48) 1.A64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.63 A 0.26 I 0.06 C 0.02 C Shift Assignments>> C :: 180.5950 CA :: 55.6923 CB :: 17.9004 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.8494 HA :: 4.1094 HB1 :: 1.4508 HB2 :: 1.4508 HB3 :: 1.4508 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.2511 Ave N Shift Values>> N :: 123.23(3.54) 1.D65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.2 L 0.17 Y 0.16 D 0.15 K 0.13 C 0.08 I 0.02 N 0.02 R 0.01 C Shift Assignments>> C :: 176.4890 CA :: 56.7409 CB :: 40.9693 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.1444 HA :: 4.2804 HB2 :: 2.4191 HB3 :: 2.4063 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 116.8156 Ave N Shift Values>> N :: 120.65(3.86) 1.F66 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.49 F 0.18 Y 0.16 C 0.15 C Shift Assignments>> C :: 176.6550 CA :: 62.3187 CB :: 40.3536 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.9285 HA :: 3.9138 HB2 :: 3.1110 HB3 :: 2.9349 HD1 :: 6.9140 HD2 :: 6.9140 HE1 :: 6.4812 HE2 :: 6.4812 HZ :: 5.4094(S) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 119.6070 Ave N Shift Values>> N :: 120.45(4.18) 1.I67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.78 C 0.21 HN Overlap>> 1.R103 1.R103 C Shift Assignments>> C :: 177.7080 CA :: 63.9890 CB :: 37.0768 CG1 :: 29.2233 CG2 :: 17.6102 CD1 :: 12.2746 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.5487 HA :: 3.6538 HB :: 2.0427 HG12 :: 1.7984 HG13 :: 1.4570 HG21 :: 0.9160 HG22 :: 0.9160 HG23 :: 0.9160 HD11 :: 0.9300 HD12 :: 0.9300 HD13 :: 0.9300 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 118.3127 Ave N Shift Values>> N :: 121.46(4.28) 1.T68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 C 0.02 C Shift Assignments>> C :: 176.1520 CA :: 66.9377 CB :: 68.2227 CG2 :: 21.8248 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.8224 HA :: 3.8475 HB :: 4.3033 HG21 :: 1.1211 HG22 :: 1.1211 HG23 :: 1.1211 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 117.1918 Ave N Shift Values>> N :: 115.42(4.75) 1.L69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.79 L 0.19 C Shift Assignments>> C :: 178.9540 CA :: 58.6109 CB :: 40.3184 CG :: 26.9010 CD1 :: 22.3870 CD2 :: 26.8106 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.6055 HA :: 4.0015 HB2 :: 1.8609 HB3 :: 1.3808 HG :: 1.2493 HD11 :: 0.6012 HD12 :: 0.6012 HD13 :: 0.6012 HD21 :: 0.7054 HD22 :: 0.7054 HD23 :: 0.7054 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.7120 Ave N Shift Values>> N :: 121.86(3.9) 1.V70 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 :: 178.5880 CA :: 66.9331 CB :: 31.3862 CG1 :: 21.9343 CG2 :: 22.3634 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.2436 HA :: 3.5707 HB :: 2.1063 HG11 :: 0.8783 HG12 :: 0.8783 HG13 :: 0.8783 HG21 :: 0.7143 HG22 :: 0.7143 HG23 :: 0.7143 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 116.7659 Ave N Shift Values>> N :: 121.14(4.54) 1.N71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.26 Y 0.16 D 0.16 F 0.15 C 0.13 L 0.06 I 0.01 E 0.01 M 0.01 C Shift Assignments>> C :: 175.9300 CA :: 55.0454 CB :: 38.8095 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.2478 HA :: 4.6613 HB2 :: 2.9583 HB3 :: 2.8436 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 117.6989 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.N72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.26 K 0.14 F 0.07 N 0.06 Y 0.05 R 0.05 C 0.04 C Shift Assignments>> C :: 172.8710 CA :: 54.0448 CB :: 41.7541 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.0288 HA :: 4.9459 HB2 :: 3.2612 HB3 :: 2.7475 HD21 :: 7.3344 HD22 :: 7.7924 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 118.0224 ND2 :: 117.4470 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.M73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 A 0.27 M 0.2 C Shift Assignments>> C :: 173.9250 CA :: 55.3612 CB :: 37.8273 CG :: 32.8082 CE :: 17.3771 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 7.5926 HA :: 4.7877 HB2 :: 1.8700 HB3 :: 1.4819 HG2 :: 2.4872 HG3 :: 1.8218 HE1 :: 0.9601 HE2 :: 0.9601 HE3 :: 0.9601 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 119.6160 Ave N Shift Values>> N :: 120.09(3.57) 1.R74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.45 C 0.35 K 0.12 G 0.06 C Shift Assignments>> C :: 174.9750 CA :: 54.1835 CB :: 32.9367 CG :: 27.1830 CD :: 43.0970 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.3812 HA :: 4.8142 HB2 :: 1.6649 HB3 :: 1.6450 HG2 :: 1.5429 HG3 :: 1.4162 HD2 :: 3.2038 HD3 :: 3.0743 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 118.4983 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.F75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.36 L 0.22 F 0.1 C 0.07 G 0.07 Y 0.06 K 0.05 D 0.03 C Shift Assignments>> C :: 174.7940 CA :: 57.6269 CB :: 43.5095 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.8098 HA :: 5.1402 HB2 :: 2.9453 HB3 :: 2.8357 HD1 :: 7.3543 HD2 :: 7.3543 HE1 :: 7.3857 HE2 :: 7.3857 HZ :: 7.2230 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 119.8196 Ave N Shift Values>> N :: 120.45(4.18) 1.K76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 K 0.4 Q 0.1 R 0.04 E 0.01 C Shift Assignments>> C :: 174.6600 CA :: 55.6454 CB :: 34.5316 CG :: 25.4362 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.4751 HA :: 4.7824 HB2 :: 1.7192 HB3 :: 1.5080 HG2 :: 1.3763 HG3 :: 1.1716 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 123.1850 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.53 C 0.45 C Shift Assignments>> C :: 176.1080 CA :: 58.4486 CB :: 38.9908 CG1 :: 27.6903 CG2 :: 16.9731 CD1 :: 12.4522 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.9164 HA :: 5.2119 HB :: 1.8346 HG12 :: 1.3724 HG13 :: 1.1642 HG21 :: 0.7624 HG22 :: 0.7624 HG23 :: 0.7624 HD11 :: 0.5746 HD12 :: 0.5746 HD13 :: 0.5746 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 129.3686 Ave N Shift Values>> N :: 121.46(4.28) 1.E78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 M 0.25 E 0.15 C Shift Assignments>> C :: 176.5840 CA :: 55.4377 CB :: 33.4101 CG :: 36.3764 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.0218 HA :: 4.6767 HB2 :: 1.9565 HB3 :: 1.8359 HG2 :: 2.2115 HG3 :: 2.1922 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 126.5749 Ave N Shift Values>> N :: 120.67(3.48) 1.N79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.3 C 0.2 E 0.13 Y 0.12 F 0.08 M 0.06 D 0.04 I 0.01 L 0.01 K 0.01 C Shift Assignments>> C :: 174.7580 CA :: 54.5881 CB :: 37.2703 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 9.7525 HA :: 4.5000 HB2 :: 3.0463 HB3 :: 2.7863 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 127.3941 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.C80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.41 P 0.24 C 0.19 R 0.04 W 0.03 K 0.01 Q 0.01 C Shift Assignments>> C :: 172.2680 CA :: 61.6694 CB :: 26.5846 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.8387 HA :: 3.6924 HB2 :: 3.3495 HB3 :: 3.2264 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 106.7179 Ave N Shift Values>> N :: 120.17(4.64) 1.K81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 K 0.31 Q 0.14 R 0.05 E 0.03 I 0.01 C Shift Assignments>> C :: 176.0430 CA :: 55.2159 CB :: 34.8373 CG :: 25.8985 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.7231 HA :: 4.7189 HB2 :: 1.7698 HB3 :: 1.5916 HG2 :: 1.5488 HG3 :: 1.3188 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.5966 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.74 C 0.25 C Shift Assignments>> C :: 177.0330 CA :: 63.6735 CB :: 32.1301 CG1 :: 23.1067 CG2 :: 21.6241 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.3192 HA :: 4.2823 HB :: 2.2667 HG11 :: 1.2566 HG12 :: 1.2566 HG13 :: 1.2566 HG21 :: 0.7627 HG22 :: 0.7627 HG23 :: 0.7627 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.7338 Ave N Shift Values>> N :: 121.14(4.54) 1.V83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.66 C 0.33 C Shift Assignments>> C :: 175.8370 CA :: 62.2575 CB :: 33.0338 CG1 :: 21.6797 CG2 :: 20.1254 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.1439 HA :: 4.5037 HB :: 2.1652 HG11 :: 0.9861 HG12 :: 0.9861 HG13 :: 0.9861 HG21 :: 0.8771 HG22 :: 0.8771 HG23 :: 0.8771 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 123.8746 Ave N Shift Values>> N :: 121.14(4.54) 1.N84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 L 0.26 K 0.1 N 0.08 R 0.06 F 0.04 C 0.04 Y 0.03 C Shift Assignments>> C :: 172.6560 CA :: 52.8233 CB :: 42.0168 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.0316 HA :: 4.9146 HB2 :: 2.7610 HB3 :: 2.6190 HD21 :: 6.8394 HD22 :: 7.5565 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 116.1600 ND2 :: 112.3161 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.F85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.24 K 0.22 D 0.14 R 0.12 F 0.1 Y 0.07 C 0.05 N 0.01 C Shift Assignments>> C :: 172.8520 CA :: 56.0698 CB :: 42.1360 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.9984 HA :: 5.4332 HB2 :: 3.0982 HB3 :: 2.6207 HD1 :: 6.8905 HD2 :: 6.8905 HE1 :: 7.3961 HE2 :: 7.3961 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 116.4800 Ave N Shift Values>> N :: 120.45(4.18) 1.N86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.29 D 0.29 R 0.11 K 0.09 N 0.05 C 0.04 F 0.04 Y 0.02 G 0.02 C Shift Assignments>> C :: 173.2080 CA :: 52.8558 CB :: 42.4329 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.5001 HA :: 4.9229 HB2 :: 2.5617 HB3 :: 2.5617 HD21 :: 6.8436 HD22 :: 7.2013 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 115.4509 ND2 :: 113.6178 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.I87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 I 0.49 C Shift Assignments>> C :: 173.5640 CA :: 59.4926 CB :: 39.8442 CG1 :: 29.3872 CG2 :: 17.1423 CD1 :: 14.1496 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.5280 HA :: 4.3457 HB :: 1.3692 HG12 :: 1.0398 HG13 :: 0.7048 HG21 :: 0.6741 HG22 :: 0.6741 HG23 :: 0.6741 HD11 :: 0.2268 HD12 :: 0.2268 HD13 :: 0.2268 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 122.5388 Ave N Shift Values>> N :: 121.46(4.28) 1.E88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.34 M 0.14 Q 0.06 K 0.04 I 0.01 C Shift Assignments>> C :: 175.4430 CA :: 57.0451 CB :: 30.7315 CG :: 36.0095 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.7708 HA :: 4.3815 HB2 :: 1.8810 HB3 :: 1.6949 HG2 :: 2.0835 HG3 :: 2.0345 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 127.6525 Ave N Shift Values>> N :: 120.67(3.48) 1.N89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.56 D 0.2 C 0.07 L 0.05 F 0.04 Y 0.04 C Shift Assignments>> C :: 175.4280 CA :: 52.0596 CB :: 39.2108 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.1122 HA :: 4.9570 HB2 :: 3.1444 HB3 :: 2.8351 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 116.0207 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.T90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 C Shift Assignments>> C :: 177.0630 CA :: 62.7979 CB :: 68.7647 CG2 :: 22.0781 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.4684 HA :: 3.8031 HB :: 4.4267 HG21 :: 1.1052 HG22 :: 1.1052 HG23 :: 1.1052 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 113.3004 Ave N Shift Values>> N :: 115.42(4.75) 1.N91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.22 C 0.22 F 0.16 E 0.15 N 0.08 I 0.05 M 0.04 D 0.03 L 0.01 C Shift Assignments>> C :: 178.0260 CA :: 56.5901 CB :: 37.6296 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.5627 HA :: 4.2957 HB2 :: 2.8917 HB3 :: 2.7339 HD21 :: 6.9781 HD22 :: 7.7013 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 124.0113 ND2 :: 113.3708 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.C92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.22 C 0.22 R 0.18 W 0.08 L 0.07 Q 0.06 H 0.04 K 0.04 E 0.04 P 0.01 C Shift Assignments>> C :: 174.9060 CA :: 59.3672 CB :: 26.8685 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.9864 HA :: 4.3975 HB2 :: 2.9697 HB3 :: 2.7402 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 114.9885 Ave N Shift Values>> N :: 120.17(4.64) 1.L93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.49 C 0.4 A 0.09 HN Overlap>> 1.N95 1.N95 C Shift Assignments>> C :: 176.2090 CA :: 55.1564 CB :: 39.7653 CG :: 26.5165 CD1 :: 22.5180 CD2 :: 25.3962 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.3805 HA :: 3.9477 HB2 :: 1.9099 HB3 :: 1.4854 HG :: 1.3671 HD11 :: 0.4288 HD12 :: 0.4288 HD13 :: 0.4288 HD21 :: 0.6430 HD22 :: 0.6430 HD23 :: 0.6430 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.1028 Ave N Shift Values>> N :: 121.86(3.9) 1.N94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.39 C 0.13 Y 0.12 D 0.12 F 0.11 L 0.03 E 0.02 M 0.01 I 0.01 HN Overlap>> 1.N104 1.N104 C Shift Assignments>> C :: 174.9630 CA :: 54.3443 CB :: 38.2965 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.5683 HA :: 4.4632 HB2 :: 2.8569 HB3 :: 2.8569 HD21 :: 6.9890 HD22 :: 7.5824 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 115.9660 ND2 :: 113.0544 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.N95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.66 D 0.15 C 0.09 L 0.02 F 0.02 Y 0.02 HN Overlap>> 1.L93 1.L93 C Shift Assignments>> CA :: 50.0198 CB :: 39.1193 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.2775 HA :: 5.1016 HB2 :: 3.1237 HB3 :: 2.8693 HD21 :: 7.3363 HD22 :: 7.7451 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 119.0955 ND2 :: 113.2254 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.P96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.83 C 0.16 C Shift Assignments>> C :: 179.0430 CA :: 65.0686 CB :: 32.3098 CG :: 27.3486 CD :: 51.3099 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.5141 HB2 :: 2.4764 HB3 :: 2.0882 HG2 :: 2.1623 HG3 :: 2.1162 HD2 :: 4.1838 HD3 :: 3.9687 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.S97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.5210 CA :: 61.0266 CB :: 62.6193 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.0297 HA :: 4.3306 HB2 :: 3.9555 HB3 :: 3.9014 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 113.7000 Ave N Shift Values>> N :: 116.28(3.52) 1.I98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.68 C 0.31 C Shift Assignments>> C :: 177.6290 CA :: 64.5439 CB :: 36.8755 CG1 :: 29.6964 CG2 :: 19.5953 CD1 :: 13.0556 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.3994 HA :: 3.5936 HB :: 2.1770 HG12 :: 1.5537 HG13 :: 1.0448 HG21 :: 0.7705 HG22 :: 0.7705 HG23 :: 0.7705 HD11 :: 0.9089 HD12 :: 0.9089 HD13 :: 0.9089 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 120.7112 Ave N Shift Values>> N :: 121.46(4.28) 1.E99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.4 C 0.36 E 0.18 K 0.03 Q 0.01 HN Overlap>> 1.L135 1.L135 C Shift Assignments>> C :: 178.1570 CA :: 60.9676 CB :: 28.6749 CG :: 36.4265 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.2975 HA :: 3.9376 HB2 :: 2.4132 HB3 :: 2.2639 HG2 :: 2.4793 HG3 :: 2.3543 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.7227 Ave N Shift Values>> N :: 120.67(3.48) 1.T100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 C 0.02 C Shift Assignments>> C :: 176.0500 CA :: 66.8441 CB :: 68.9648 CG2 :: 21.6432 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.8712 HA :: 3.8897 HB :: 4.2949 HG21 :: 1.2957 HG22 :: 1.2957 HG23 :: 1.2957 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 113.5742 Ave N Shift Values>> N :: 115.42(4.75) 1.I101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.9 C 0.09 C Shift Assignments>> C :: 178.0010 CA :: 65.3041 CB :: 37.6196 CG1 :: 27.0330 CG2 :: 17.9409 CD1 :: 14.3699 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.1899 HA :: 3.3200 HB :: 1.7071 HG12 :: 1.7763 HG13 :: 0.0679 HG21 :: 0.4236 HG22 :: 0.4236 HG23 :: 0.4236 HD11 :: 0.6205 HD12 :: 0.6205 HD13 :: 0.6205 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 121.4540 Ave N Shift Values>> N :: 121.46(4.28) 1.Y102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.51 C 0.17 Y 0.15 F 0.13 HN Overlap>> 1.N129 1.N129 C Shift Assignments>> C :: 178.8230 CA :: 61.8745 CB :: 38.4903 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.3134 HA :: 4.0381 HB2 :: 3.0163 HB3 :: 2.9701 HD1 :: 6.9499 HD2 :: 6.9499 HE1 :: 6.6866 HE2 :: 6.6866 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 118.8084 Ave N Shift Values>> N :: 120.52(4.2) 1.R103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 R 0.41 K 0.09 HN Overlap>> 1.I67 1.I67 C Shift Assignments>> C :: 177.3290 CA :: 58.7324 CB :: 29.9752 CG :: 27.5537 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.6153 HA :: 3.9588 HB2 :: 2.0548 HB3 :: 1.9501 HG2 :: 1.9308 HG3 :: 1.8307 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 118.3021 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.N104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.36 D 0.32 L 0.11 F 0.06 C 0.06 Y 0.05 HN Overlap>> 1.N94 1.N94 C Shift Assignments>> C :: 176.7630 CA :: 52.7467 CB :: 40.1131 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.4906 HA :: 5.2631 HB2 :: 3.2057 HB3 :: 2.7834 HD21 :: 7.1751 HD22 :: 7.7294 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 116.0021 ND2 :: 113.9620 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.F105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.61 C 0.14 Y 0.11 F 0.11 C Shift Assignments>> C :: 177.1190 CA :: 62.9174 CB :: 39.1376 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.8311 HA :: 4.0257 HB2 :: 3.4738 HB3 :: 2.5540 HD1 :: 6.2285 HD2 :: 6.2285 HE1 :: 6.6385 HE2 :: 6.6385 HZ :: 6.7701 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 123.9089 Ave N Shift Values>> N :: 120.45(4.18) 1.N106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.22 C 0.22 F 0.16 E 0.15 I 0.06 N 0.06 M 0.04 D 0.02 L 0.01 C Shift Assignments>> C :: 177.8340 CA :: 56.8344 CB :: 37.6141 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 9.0131 HA :: 4.4679 HB2 :: 2.9927 HB3 :: 2.9723 HD21 :: 7.1096 HD22 :: 7.8387 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 114.9322 ND2 :: 113.2881 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Q107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 Q 0.23 K 0.22 E 0.1 I 0.04 R 0.04 M 0.01 C Shift Assignments>> C :: 178.2110 CA :: 59.0392 CB :: 28.5484 CG :: 34.2475 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.1808 HA :: 4.1850 HB2 :: 2.2707 HB3 :: 2.2046 HG2 :: 2.5398 HG3 :: 2.4276 HE21 :: 6.8590 HE22 :: 7.4952 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.0993 NE2 :: 111.1632 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.F108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.44 C 0.22 Y 0.15 F 0.11 E 0.03 V 0.01 C Shift Assignments>> C :: 175.9420 CA :: 61.4108 CB :: 37.5928 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 6.9923 HA :: 3.8486 HB2 :: 2.8680 HB3 :: 2.5785 HD1 :: 6.4079 HD2 :: 6.4079 HE1 :: 6.8422 HE2 :: 6.8422 HZ :: 6.7899 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 118.8340 Ave N Shift Values>> N :: 120.45(4.18) 1.V109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.74 C 0.25 C Shift Assignments>> C :: 176.6880 CA :: 67.3047 CB :: 31.6111 CG1 :: 22.1211 CG2 :: 24.7602 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.7738 HA :: 3.0499 HB :: 2.1661 HG11 :: 1.0568 HG12 :: 1.0568 HG13 :: 1.0568 HG21 :: 1.0202 HG22 :: 1.0202 HG23 :: 1.0202 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.1510 Ave N Shift Values>> N :: 121.14(4.54) 1.S110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.0040 CA :: 62.0453 CB :: 63.0619 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.9357 HA :: 4.2645 HB2 :: 4.0130 HB3 :: 3.9306 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 112.8919 Ave N Shift Values>> N :: 116.28(3.52) 1.I111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.87 C 0.12 C Shift Assignments>> C :: 176.1540 CA :: 64.9853 CB :: 38.2632 CG1 :: 29.2265 CG2 :: 17.9655 CD1 :: 13.4048 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.4269 HA :: 3.5774 HB :: 1.7269 HG12 :: 1.7549 HG13 :: 1.0412 HG21 :: 0.8785 HG22 :: 0.8785 HG23 :: 0.8785 HD11 :: 0.7699 HD12 :: 0.7699 HD13 :: 0.7699 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 120.3466 Ave N Shift Values>> N :: 121.46(4.28) 1.F112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.5 Y 0.16 F 0.16 C 0.15 C Shift Assignments>> C :: 178.8890 CA :: 62.0054 CB :: 39.3805 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.7416 HA :: 3.7990 HB2 :: 2.6985 HB3 :: 2.0469 HD1 :: 7.0999 HD2 :: 7.0999 HE1 :: 7.4356 HE2 :: 7.4356 HZ :: 7.1762 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 123.0025 Ave N Shift Values>> N :: 120.45(4.18) 1.N113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.22 E 0.21 N 0.15 Y 0.14 F 0.1 M 0.07 D 0.02 I 0.02 K 0.01 HN Overlap>> 1.V118 1.V118 C Shift Assignments>> C :: 178.0180 CA :: 55.5618 CB :: 37.1004 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.7311 HA :: 4.4565 HB2 :: 3.0854 HB3 :: 2.8131 HD21 :: 7.4484 HD22 :: 7.6495 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 120.1152 ND2 :: 108.3408 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.87 C 0.12 HN Overlap>> 1.L32 1.L32 C Shift Assignments>> C :: 177.5820 CA :: 66.5183 CB :: 31.5384 CG1 :: 21.8518 CG2 :: 23.5731 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.5963 HA :: 3.8670 HB :: 2.1903 HG11 :: 0.7516 HG12 :: 0.7516 HG13 :: 0.7516 HG21 :: 1.0438 HG22 :: 1.0438 HG23 :: 1.0438 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.5653 Ave N Shift Values>> N :: 121.14(4.54) 1.V115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.64 C 0.35 C Shift Assignments>> C :: 177.7790 CA :: 67.4742 CB :: 30.9404 CG1 :: 22.6666 CG2 :: 24.8359 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.9544 HA :: 3.1972 HB :: 1.9323 HG11 :: 0.8268 HG12 :: 0.8268 HG13 :: 0.8268 HG21 :: 0.9033 HG22 :: 0.9033 HG23 :: 0.9033 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.6988 Ave N Shift Values>> N :: 121.14(4.54) 1.T116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 C 0.02 C Shift Assignments>> C :: 176.1280 CA :: 67.6708 CB :: 68.3939 CG2 :: 21.0085 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.2209 HA :: 3.6267 HB :: 4.1311 HG21 :: 1.0702 HG22 :: 1.0702 HG23 :: 1.0702 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 116.3203 Ave N Shift Values>> N :: 115.42(4.75) 1.D117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.24 Y 0.2 K 0.15 L 0.14 C 0.09 D 0.09 I 0.04 R 0.01 N 0.01 C Shift Assignments>> C :: 178.8460 CA :: 57.6384 CB :: 41.0157 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.4963 HA :: 4.4534 HB2 :: 2.9080 HB3 :: 2.6416 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 122.6777 Ave N Shift Values>> N :: 120.65(3.86) 1.V118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.83 C 0.16 HN Overlap>> 1.N113 1.N113 C Shift Assignments>> C :: 177.6730 CA :: 66.8102 CB :: 31.5117 CG1 :: 22.1191 CG2 :: 23.9985 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.6627 HA :: 3.2910 HB :: 2.1912 HG11 :: 0.7711 HG12 :: 0.7711 HG13 :: 0.7711 HG21 :: 0.9294 HG22 :: 0.9294 HG23 :: 0.9294 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.0582 Ave N Shift Values>> N :: 121.14(4.54) 1.K119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.3 C 0.25 P 0.12 W 0.08 K 0.05 R 0.04 E 0.03 H 0.03 M 0.02 I 0.01 Q 0.01 C Shift Assignments>> C :: 178.7950 CA :: 61.1363 CB :: 32.0691 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.6420 HA :: 3.8721 HB2 :: 2.0782 HB3 :: 1.9797 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.5363 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 K 0.36 R 0.08 V 0.02 Q 0.01 C Shift Assignments>> C :: 178.7480 CA :: 59.3729 CB :: 32.2698 CG :: 25.1520 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.8455 HA :: 4.0588 HB2 :: 1.9823 HB3 :: 1.9823 HG2 :: 1.6218 HG3 :: 1.4684 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.7858 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.45 C 0.43 K 0.06 G 0.04 C Shift Assignments>> C :: 178.7960 CA :: 58.0142 CB :: 30.5272 CG :: 27.1758 CD :: 43.1475 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.7634 HA :: 4.0557 HB2 :: 1.8497 HB3 :: 1.7894 HG2 :: 1.7759 HG3 :: 1.6642 HD2 :: 3.0471 HD3 :: 3.0274 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 117.0922 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.L122 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.43 C 0.34 R 0.18 G 0.02 HN Overlap>> 1.L21 1.L21 C Shift Assignments>> C :: 178.2340 CA :: 56.3931 CB :: 42.6103 CG :: 26.3094 CD1 :: 27.1519 CD2 :: 23.3342 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.9908 HA :: 3.9673 HB2 :: 0.9469 HB3 :: 0.1867(S) HG :: 1.5829 HD11 :: 0.5900 HD12 :: 0.5900 HD13 :: 0.5900 HD21 :: 0.6721 HD22 :: 0.6721 HD23 :: 0.6721 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 116.6653 Ave N Shift Values>> N :: 121.86(3.9) 1.F123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.24 Y 0.22 D 0.16 L 0.12 C 0.11 N 0.05 I 0.04 K 0.02 C Shift Assignments>> C :: 175.9600 CA :: 56.6486 CB :: 40.0835 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.8272 HA :: 5.0523 HB2 :: 3.4337 HB3 :: 2.9791 HD1 :: 7.4078 HD2 :: 7.4078 HE1 :: 7.1462 HE2 :: 7.1462 HZ :: 7.3046 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 115.6749 Ave N Shift Values>> N :: 120.45(4.18) 1.E124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.39 C 0.35 K 0.07 I 0.06 Q 0.05 M 0.05 HN Overlap>> 1.K4 1.K4 C Shift Assignments>> C :: 176.5530 CA :: 57.6048 CB :: 29.8503 CG :: 36.2898 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.1480 HA :: 4.3349 HB2 :: 2.3076 HB3 :: 2.1442 HG2 :: 2.3071 HG3 :: 2.1450 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.9313 Ave N Shift Values>> N :: 120.67(3.48) 1.N125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.47 D 0.19 C 0.09 F 0.08 Y 0.08 L 0.05 C Shift Assignments>> C :: 175.2020 CA :: 53.3893 CB :: 38.9605 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.5108 HA :: 4.7527 HB2 :: 2.8813 HB3 :: 2.8249 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 118.8482 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.85 M 0.11 C 0.02 C Shift Assignments>> C :: 177.8420 CA :: 52.8917 CB :: 19.2967 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.2796 HA :: 4.3967 HB1 :: 1.4628 HB2 :: 1.4628 HB3 :: 1.4628 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.2821 Ave N Shift Values>> N :: 123.23(3.54) 1.S127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.1870 CA :: 58.7370 CB :: 63.9374 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.2846 HA :: 4.4592 HB2 :: 3.9465 HB3 :: 3.9015 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.4808 Ave N Shift Values>> N :: 116.28(3.52) 1.G128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> C :: 174.1630 CA :: 45.5750 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.3418 HA2 :: 4.0194 HA3 :: 4.0194 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.6145 Ave N Shift Values>> N :: 109.67(3.87) 1.N129 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent HN Overlap>> 1.Y102 1.Y102 C Shift Assignments>> C :: 176.0170 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.3664 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 118.8313 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G130 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent C Shift Assignments>> C :: 174.5110 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.5136 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.7307 Ave N Shift Values>> N :: 109.67(3.87) 1.S131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.2810 CA :: 58.5924 CB :: 63.9919 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.3086 HA :: 4.5151 HB2 :: 3.9523 HB3 :: 3.9010 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.8640 Ave N Shift Values>> N :: 116.28(3.52) 1.G132 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent C Shift Assignments>> C :: 174.8060 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.5529 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.1520 Ave N Shift Values>> N :: 109.67(3.87) 1.G133 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent C Shift Assignments>> C :: 174.6970 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.3921 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.0901 Ave N Shift Values>> N :: 109.67(3.87) 1.G134 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent C Shift Assignments>> C :: 174.5400 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.4049 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.9747 Ave N Shift Values>> N :: 109.67(3.87) 1.L135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.62 C 0.31 R 0.04 G 0.01 HN Overlap>> 1.E99 1.E99 C Shift Assignments>> C :: 177.3120 CA :: 55.7675 CB :: 42.1961 CG :: 27.0197 CD1 :: 23.7367 CD2 :: 25.0209 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.2556 HA :: 4.2477 HB2 :: 1.6095 HB3 :: 1.5165 HG :: 1.5744 HD11 :: 0.7783 HD12 :: 0.7783 HD13 :: 0.7783 HD21 :: 0.8187 HD22 :: 0.8187 HD23 :: 0.8187 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.6928 Ave N Shift Values>> N :: 121.86(3.9) 1.N136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.39 D 0.18 Y 0.11 F 0.11 C 0.1 L 0.06 C Shift Assignments>> C :: 175.2180 CA :: 54.1171 CB :: 38.8987 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.4248 HA :: 4.6378 HB2 :: 2.8454 HB3 :: 2.7687 HD21 :: 7.6524 HD22 :: 6.8807 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 117.8492 ND2 :: 113.2653 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.D137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.27 L 0.22 K 0.12 F 0.12 Y 0.09 N 0.07 C 0.06 R 0.01 HN Overlap>> 1.K15 1.K47 1.K15 1.K47 C Shift Assignments>> C :: 176.8290 CA :: 55.0336 CB :: 41.1452 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.0643 HA :: 4.5777 HB2 :: 2.7180 HB3 :: 2.6481 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.8387 Ave N Shift Values>> N :: 120.65(3.86) 1.I138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.74 C 0.25 HN Overlap>> 1.L17 1.L17 C Shift Assignments>> C :: 176.1410 CA :: 62.3353 CB :: 38.3051 CG1 :: 27.4637 CG2 :: 17.2233 CD1 :: 13.1955 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.7774 HA :: 3.9592 HB :: 1.6180 HG12 :: 1.1332 HG13 :: 0.9263 HG21 :: 0.4970 HG22 :: 0.4970 HG23 :: 0.4970 HD11 :: 0.5760 HD12 :: 0.5760 HD13 :: 0.5760 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 119.6508 Ave N Shift Values>> N :: 121.46(4.28) 1.F139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.3 F 0.27 C 0.17 I 0.13 D 0.03 L 0.03 E 0.01 N 0.01 C Shift Assignments>> C :: 176.3850 CA :: 58.1301 CB :: 38.9187 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.8836 HA :: 4.4718 HB2 :: 3.0595 HB3 :: 2.9031 HD1 :: 6.9754 HD2 :: 6.9754 HE1 :: 6.9004 HE2 :: 6.9004 HZ :: 7.0195 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 120.6732 Ave N Shift Values>> N :: 120.45(4.18) 1.E140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.39 C 0.34 K 0.07 M 0.07 Q 0.06 I 0.04 HN Overlap>> 1.V9 1.K4 1.V9 1.K4 C Shift Assignments>> C :: 176.6650 CA :: 57.1738 CB :: 30.0501 CG :: 36.2101 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.0712 HA :: 4.2030 HB2 :: 2.0779 HB3 :: 1.9937 HG2 :: 2.3072 HG3 :: 2.3072 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.8456 Ave N Shift Values>> N :: 120.67(3.48) 1.A141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.83 M 0.13 C 0.02 C Shift Assignments>> C :: 177.9870 CA :: 53.0792 CB :: 19.1875 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.0450 HA :: 4.2816 HB1 :: 1.4231 HB2 :: 1.4231 HB3 :: 1.4231 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.3113 Ave N Shift Values>> N :: 123.23(3.54) 1.Q142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.3 K 0.27 C 0.24 E 0.08 M 0.05 R 0.02 C Shift Assignments>> C :: 175.9780 CA :: 56.0251 CB :: 29.3109 CG :: 33.9723 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.1503 HA :: 4.3268 HB2 :: 2.2166 HB3 :: 2.0503 HG2 :: 2.4031 HG3 :: 2.4031 HE21 :: 6.8412 HE22 :: 7.5435 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 117.8696 NE2 :: 112.1351 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.19 M 0.18 C 0.17 Q 0.15 R 0.08 H 0.07 W 0.05 E 0.04 V 0.02 HN Overlap>> 1.I144 1.I144 C Shift Assignments>> C :: 176.3040 CA :: 56.6304 CB :: 33.0074 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.0786 HA :: 4.3774 HB2 :: 1.9036 HB3 :: 1.8000 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.4010 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I144 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.K143 1.K143 C Shift Assignments>> C :: 175.7680 CA :: 60.9155 CB :: 39.0348 CG1 :: 27.3901 CG2 :: 17.3768 CD1 :: 13.0782 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.0409 HA :: 4.1765 HB :: 1.7354 HG12 :: 1.4045 HG13 :: 1.0742 HG21 :: 0.6814 HG22 :: 0.6814 HG23 :: 0.6814 HD11 :: 0.7297 HD12 :: 0.7297 HD13 :: 0.7297 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 121.4380 Ave N Shift Values>> N :: 121.46(4.28) 1.E145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.39 C 0.31 M 0.12 Q 0.07 K 0.06 I 0.01 C Shift Assignments>> C :: 175.5140 CA :: 56.0549 CB :: 30.3485 CG :: 36.1048 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.3875 HA :: 4.3579 HB2 :: 2.0050 HB3 :: 1.9137 HG2 :: 2.2615 HG3 :: 2.1854 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 125.2256 Ave N Shift Values>> N :: 120.67(3.48) 1.W146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.14 W 0.14 H 0.14 R 0.13 C 0.12 Q 0.12 K 0.08 M 0.05 I 0.01 C Shift Assignments>> C :: 175.3880 CA :: 57.1185 CB :: 30.1002 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.2257 HA :: 4.6097 HB2 :: 3.1871 HB3 :: 3.1458 HD1 :: 7.1968 HE1 :: 10.1202 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 123.4765 NE1 :: 129.7038 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.H147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.17 R 0.15 Q 0.14 W 0.12 C 0.12 E 0.11 M 0.08 K 0.08 C Shift Assignments>> C :: 172.7640 CA :: 54.9024 CB :: 30.0997 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 7.7333 HA :: 4.5096 HB2 :: 3.0858 HB3 :: 3.0262 HD2 :: 7.1198 HE1 :: 8.4660 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 121.1085 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.E148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 E 0.39 M 0.09 I 0.05 K 0.01 Q 0.01 C Shift Assignments>> CA :: 58.1175 CB :: 30.8102 CG :: 36.7400 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.1510 HA :: 4.0480 HB2 :: 2.0674 HB3 :: 1.8989 HG2 :: 2.2380 HG3 :: 2.2380 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 127.3985 Ave N Shift Values>> N :: 120.67(3.48) ########################################################################### Overall Results: #Consistent: 145 #Clerical: 0 #Suspicious: 3 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 141 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 7 Shift Relative Order (SRO) Results: #Consistent: 148 #Suspicious: 0 C Shift Results: #Consistent: 551 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 958 #Duplicate: 0 #Unknown: 0 #Suspicious: 3 #Anomalous: 0 N Shift Results: #Consistent: 162 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.K47 HG3 = 0.3850(S), Expected = 1.35, Std = 0.2800, ChiSquare = 5.6805e-04 1.F66 HZ = 5.4094(S), Expected = 7.00, Std = 0.4200, ChiSquare = 1.5239e-04 1.L122 HB3 = 0.1867(S), Expected = 1.52, Std = 0.3600, ChiSquare = 2.1255e-04