Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 173.5130 CA :: 58.4630 CB :: 64.0540 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 4.2800 HB2 :: 3.6080 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) 1.M3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.49 C 0.31 Q 0.15 E 0.02 HN Overlap>> 1.T105 1.T105 C Shift Assignments>> C :: 175.2230 CA :: 54.9440 CB :: 33.5000 CG :: 32.3810 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 :: 8.5180 HA :: 4.3550 HB2 :: 1.6390 HB3 :: 1.6900 HG2 :: 2.6890 HG3 :: 2.3010 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 :: 121.9970 Ave N Shift Values>> N :: 120.09(3.57) 1.E4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.36 M 0.16 Q 0.03 K 0.02 I 0.01 HN Overlap>> 1.D90 1.D90 C Shift Assignments>> C :: 176.0930 CA :: 56.0720 CB :: 30.9240 CG :: 36.5410 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 :: 8.9170 HA :: 4.1040 HB2 :: 1.5700 HB3 :: 1.8870 HG2 :: 2.0350 HG3 :: 2.1380 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 :: 122.5010 Ave N Shift Values>> N :: 120.67(3.48) 1.L5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 L 0.33 R 0.16 G 0.14 C Shift Assignments>> C :: 176.5510 CA :: 57.3600 CB :: 43.9130 CG :: 27.7580 CD1 :: 25.8810 CD2 :: 25.3500 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 :: 8.6190 HA :: 4.0530 HB2 :: 1.6870 HB3 :: 1.5280 HG :: 1.3910 HD11 :: 0.7490 HD12 :: 0.7490 HD13 :: 0.7490 HD21 :: 0.5850 HD22 :: 0.5850 HD23 :: 0.5850 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 :: 122.6590 Ave N Shift Values>> N :: 121.86(3.9) 1.I6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.65 I 0.33 C Shift Assignments>> C :: 172.8920 CA :: 59.1120 CB :: 41.0110 CG1 :: 27.6540 CG2 :: 15.1060 CD1 :: 13.7930 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 :: 7.3630 HA :: 4.5890 HB :: 1.2830 HG12 :: 1.0700 HG13 :: 0.5090 HG21 :: 0.1600 HG22 :: 0.1600 HG23 :: 0.1600 HD11 :: -0.1510 HD12 :: -0.1510 HD13 :: -0.1510 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 :: 110.8730 Ave N Shift Values>> N :: 121.46(4.28) 1.N7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.7 C 0.1 D 0.08 Y 0.03 F 0.03 L 0.01 M 0.01 C Shift Assignments>> C :: 175.3860 CA :: 51.3520 CB :: 38.1040 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 :: 9.1250 HA :: 4.6020 HB3 :: 2.2620 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 :: 126.3060 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 K 0.35 R 0.17 C Shift Assignments>> C :: 178.4030 CA :: 59.5870 CB :: 31.8430 CG :: 26.1640 CD :: 29.0040 CE :: 41.9690 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 :: 8.8480 HA :: 3.6180 HB2 :: 1.6710 HB3 :: 1.8260 HG2 :: 1.3770 HG3 :: 1.0530 HD3 :: 1.5060 HE2 :: 2.6150 HE3 :: 2.7980 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 :: 124.3440 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.23 C 0.19 F 0.18 N 0.12 E 0.08 D 0.06 I 0.04 L 0.02 M 0.02 HN Overlap>> 1.I79 1.I79 C Shift Assignments>> C :: 177.3430 CA :: 56.2300 CB :: 38.0760 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 :: 8.3560 HA :: 4.2440 HB2 :: 2.7560 HB3 :: 2.5420 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 :: 119.1250 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 K 0.42 R 0.12 HN Overlap>> 1.L112 1.L112 C Shift Assignments>> C :: 178.6680 CA :: 58.5920 CB :: 32.4140 CG :: 25.3110 CD :: 29.2940 CE :: 42.1710 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 :: 7.6110 HA :: 3.9210 HB2 :: 1.4170 HB3 :: 1.6420 HG2 :: 1.2400 HG3 :: 1.0980 HD3 :: 1.2500 HE2 :: 2.8770 HE3 :: 2.7460 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 :: 121.0820 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.81 C 0.18 C Shift Assignments>> C :: 176.6040 CA :: 64.0960 CB :: 37.2270 CG1 :: 28.9420 CG2 :: 17.3180 CD1 :: 12.6980 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 :: 7.4640 HA :: 3.5480 HB :: 1.9550 HG12 :: 1.4510 HG13 :: 1.7570 HG21 :: 1.1360 HG22 :: 1.1360 HG23 :: 1.1360 HD11 :: 0.7520 HD12 :: 0.7520 HD13 :: 0.7520 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 :: 119.8310 Ave N Shift Values>> N :: 121.46(4.28) 1.A12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.58 A 0.35 I 0.03 C 0.02 C Shift Assignments>> C :: 179.9740 CA :: 55.0610 CB :: 17.7620 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.7980 HA :: 3.9210 HB1 :: 1.2800 HB2 :: 1.2800 HB3 :: 1.2800 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.1920 Ave N Shift Values>> N :: 123.23(3.54) 1.H13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.2 K 0.15 E 0.14 I 0.12 Q 0.12 H 0.1 R 0.09 M 0.01 L 0.01 V 0.01 C Shift Assignments>> C :: 176.4250 CA :: 59.0340 CB :: 28.8240 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 :: 7.8220 HA :: 4.3790 HB2 :: 3.1600 HB3 :: 3.0570 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 :: 117.4950 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.L14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.39 R 0.02 C Shift Assignments>> C :: 177.8860 CA :: 58.0960 CB :: 41.8480 CG :: 26.4900 CD1 :: 25.2110 CD2 :: 23.3620 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 :: 8.0850 HA :: 3.8150 HB2 :: 1.4940 HB3 :: 1.4130 HG :: 1.2500 HD11 :: 0.4420 HD12 :: 0.4420 HD13 :: 0.4420 HD21 :: 0.5610 HD22 :: 0.5610 HD23 :: 0.5610 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 :: 122.1890 Ave N Shift Values>> N :: 121.86(3.9) 1.A15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.49 A 0.42 I 0.03 C 0.03 C Shift Assignments>> C :: 179.3260 CA :: 55.2180 CB :: 18.4340 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.3330 HA :: 3.3640 HB1 :: 1.2330 HB2 :: 1.2330 HB3 :: 1.2330 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.4710 Ave N Shift Values>> N :: 123.23(3.54) 1.Q16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 Q 0.26 K 0.25 E 0.08 R 0.05 I 0.02 M 0.01 C Shift Assignments>> C :: 176.9520 CA :: 58.2400 CB :: 28.5060 CG :: 34.0380 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 :: 7.5680 HA :: 3.7810 HB2 :: 1.7690 HB3 :: 1.8950 HG2 :: 2.0900 HG3 :: 2.1810 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 :: 115.7570 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 E 0.36 M 0.09 I 0.04 Q 0.04 K 0.03 HN Overlap>> 1.D28 1.D28 C Shift Assignments>> C :: 178.1310 CA :: 58.9650 CB :: 30.7860 CG :: 36.0160 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 :: 7.7480 HA :: 3.8770 HB3 :: 1.8280 HG3 :: 1.9630 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 :: 118.7240 Ave N Shift Values>> N :: 120.67(3.48) 1.I18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.62 C 0.37 C Shift Assignments>> C :: 176.1310 CA :: 61.2150 CB :: 40.0710 CG1 :: 25.0350 CG2 :: 17.7950 CD1 :: 15.1180 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 :: 8.2590 HA :: 4.2930 HB :: 1.8590 HG12 :: 0.5210 HG13 :: 0.5990 HG21 :: 0.5680 HG22 :: 0.5680 HG23 :: 0.5680 HD11 :: 0.4280 HD12 :: 0.4280 HD13 :: 0.4280 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 :: 109.5320 Ave N Shift Values>> N :: 121.46(4.28) 1.G19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 L 0.12 C 0.03 R 0.02 F 0.01 C Shift Assignments>> C :: 175.0660 CA :: 45.1110 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.7620 HA2 :: 3.5470 HA3 :: 4.3340 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 114.0620 Ave N Shift Values>> N :: 109.67(3.87) 1.E20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 E 0.3 I 0.19 K 0.04 Q 0.02 M 0.01 C Shift Assignments>> C :: 178.1980 CA :: 60.3780 CB :: 29.8230 CG :: 36.2070 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 :: 8.9810 HA :: 3.6010 HB2 :: 1.4280 HB3 :: 1.8200 HG3 :: 2.0720 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 :: 126.3850 Ave N Shift Values>> N :: 120.67(3.48) 1.E21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.3 K 0.13 I 0.11 Q 0.09 C Shift Assignments>> C :: 176.5320 CA :: 58.2680 CB :: 28.5160 CG :: 35.7870 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 :: 9.8030 HA :: 3.9580 HB2 :: 1.6370 HB3 :: 1.7900 HG2 :: 1.9870 HG3 :: 2.0920 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 :: 117.7210 Ave N Shift Values>> N :: 120.67(3.48) 1.N22 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 0.1 Y 0.1 C 0.08 C Shift Assignments>> C :: 175.4270 CA :: 54.1000 CB :: 39.6550 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 :: 7.7980 HA :: 4.7220 HB2 :: 2.3010 HB3 :: 2.7220 HD21 :: 6.9610 HD22 :: 7.8280 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 :: 115.5200 ND2 :: 114.5270 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.58 I 0.25 C 0.14 P 0.01 C Shift Assignments>> C :: 173.5030 CA :: 68.4360 CB :: 29.9930 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 :: 7.4470 HA :: 3.6390 HB :: 2.4190 HG11 :: 1.0620 HG12 :: 1.0620 HG13 :: 1.0620 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 :: 121.1730 Ave N Shift Values>> N :: 121.14(4.54) 1.P24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.81 C 0.18 C Shift Assignments>> C :: 177.6840 CA :: 66.3480 CB :: 31.2770 CG :: 28.4630 CD :: 50.2520 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 :: 3.9720 HB2 :: 1.7370 HB3 :: 1.6290 HG2 :: 1.8240 HG3 :: 2.1410 HD2 :: 3.4780 HD3 :: 3.5720 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.I25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.82 C 0.17 C Shift Assignments>> C :: 177.9110 CA :: 63.8900 CB :: 38.0980 CG1 :: 28.5980 CG2 :: 17.1700 CD1 :: 12.7570 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 :: 6.6950 HA :: 3.6370 HB :: 1.6710 HG12 :: 1.2740 HG13 :: 1.4170 HD11 :: 0.7690 HD12 :: 0.7690 HD13 :: 0.7690 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 :: 115.9450 Ave N Shift Values>> N :: 121.46(4.28) 1.L26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 C 0.42 R 0.02 C Shift Assignments>> C :: 179.5730 CA :: 57.5300 CB :: 41.4140 CG :: 27.4370 CD1 :: 25.3730 CD2 :: 23.1370 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 :: 7.5850 HA :: 3.6820 HB3 :: 1.9210 HG :: 1.6060 HD11 :: 0.6660 HD12 :: 0.6660 HD13 :: 0.6660 HD21 :: 0.7270 HD22 :: 0.7270 HD23 :: 0.7270 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 :: 119.7350 Ave N Shift Values>> N :: 121.86(3.9) 1.L27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 C 0.42 R 0.05 C Shift Assignments>> C :: 177.3820 CA :: 57.6550 CB :: 41.6970 CG :: 26.9660 CD1 :: 24.9220 CD2 :: 26.0370 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 :: 8.8900 HA :: 3.5000 HB2 :: 1.4830 HB3 :: 1.2880 HG :: 1.1540 HD11 :: 0.6240 HD12 :: 0.6240 HD13 :: 0.6240 HD21 :: 0.2660 HD22 :: 0.2660 HD23 :: 0.2660 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 :: 120.6790 Ave N Shift Values>> N :: 121.86(3.9) 1.D28 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 0.13 C 0.1 D 0.08 I 0.05 R 0.01 HN Overlap>> 1.E17 1.E17 C Shift Assignments>> C :: 178.6450 CA :: 57.8590 CB :: 41.0580 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 :: 7.8330 HA :: 4.1280 HB2 :: 2.4040 HB3 :: 2.5570 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 :: 118.7380 Ave N Shift Values>> N :: 120.65(3.86) 1.I29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.88 C 0.11 C Shift Assignments>> C :: 177.8570 CA :: 65.1730 CB :: 38.1420 CG1 :: 28.8470 CG2 :: 17.0840 CD1 :: 13.3410 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 :: 7.3140 HA :: 3.4720 HB :: 1.8310 HG12 :: 1.0470 HG13 :: 1.3930 HG21 :: 0.9200 HG22 :: 0.9200 HG23 :: 0.9200 HD11 :: 0.6850 HD12 :: 0.6850 HD13 :: 0.6850 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 :: 120.2740 Ave N Shift Values>> N :: 121.46(4.28) 1.F30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.29 F 0.27 I 0.21 C 0.16 L 0.02 D 0.01 C Shift Assignments>> C :: 176.7770 CA :: 59.3810 CB :: 39.3710 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 :: 7.7230 HA :: 4.3150 HB2 :: 2.2450 HB3 :: 2.3850 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 :: 122.6850 Ave N Shift Values>> N :: 120.45(4.18) 1.L31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 C 0.45 C Shift Assignments>> C :: 179.1590 CA :: 58.2120 CB :: 40.7490 CG :: 26.7740 CD1 :: 25.6680 CD2 :: 23.3350 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 :: 8.8790 HA :: 3.2550 HB2 :: 1.6240 HB3 :: 1.5130 HG :: 0.9790 HD11 :: 0.4870 HD12 :: 0.4870 HD13 :: 0.4870 HD21 :: 0.1690 HD22 :: 0.1690 HD23 :: 0.1690 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 :: 117.5640 Ave N Shift Values>> N :: 121.86(3.9) 1.S32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.5090 CA :: 61.8570 CB :: 62.4140 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.9990 HA :: 3.8930 HB3 :: 4.1610 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 :: 116.0720 Ave N Shift Values>> N :: 116.28(3.52) 1.E33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.28 I 0.22 K 0.08 Q 0.04 C Shift Assignments>> C :: 176.3750 CA :: 59.2660 CB :: 28.4210 CG :: 36.1540 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 :: 7.9580 HA :: 3.4520 HB2 :: 1.4640 HB3 :: 1.7390 HG2 :: 1.9150 HG3 :: 2.0220 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 :: 126.3430 Ave N Shift Values>> N :: 120.67(3.48) 1.L34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 L 0.46 A 0.01 C Shift Assignments>> C :: 179.4000 CA :: 58.0380 CB :: 40.5820 CG :: 25.5770 CD1 :: 24.8130 CD2 :: 22.1240 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 :: 7.9940 HA :: 3.3980 HB3 :: 0.8830 HG :: 1.9790 HD11 :: 0.3020 HD12 :: 0.3020 HD13 :: 0.3020 HD21 :: -0.0780 HD22 :: -0.0780 HD23 :: -0.0780 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 :: 114.9050 Ave N Shift Values>> N :: 121.86(3.9) 1.S35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.8010 CA :: 61.3800 CB :: 62.4240 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.1620 HA :: 3.8890 HB3 :: 4.1500 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 :: 113.8680 Ave N Shift Values>> N :: 116.28(3.52) 1.A36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.64 A 0.28 I 0.04 C 0.02 HN Overlap>> 1.H106 1.H106 C Shift Assignments>> C :: 180.1450 CA :: 55.3140 CB :: 17.5150 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.2100 HA :: 4.0460 HB1 :: 1.1280 HB2 :: 1.1280 HB3 :: 1.1280 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.6410 Ave N Shift Values>> N :: 123.23(3.54) 1.Y37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.24 C 0.22 F 0.17 E 0.14 I 0.07 N 0.04 M 0.03 D 0.02 L 0.01 HN Overlap>> 1.R107 1.R107 C Shift Assignments>> C :: 178.9210 CA :: 57.1170 CB :: 37.7000 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 :: 8.3460 HA :: 4.9800 HB2 :: 2.8800 HB3 :: 3.0450 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 :: 117.7180 Ave N Shift Values>> N :: 120.52(4.2) 1.T38 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 :: 175.3520 CA :: 67.2830 CB :: 68.4810 CG2 :: 22.0540 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 :: 8.2540 HA :: 4.0530 HB :: 3.4970 HG21 :: 0.9780 HG22 :: 0.9780 HG23 :: 0.9780 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 :: 113.3670 Ave N Shift Values>> N :: 115.42(4.75) 1.Q39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 Q 0.24 K 0.24 E 0.07 R 0.05 I 0.03 M 0.01 HN Overlap>> 1.A42 1.A42 C Shift Assignments>> C :: 178.4280 CA :: 58.9090 CB :: 28.5650 CG :: 33.9890 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 :: 7.6560 HA :: 3.7400 HB3 :: 2.1060 HG3 :: 2.2410 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 :: 119.5220 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 K 0.36 R 0.2 G 0.01 HN Overlap>> 1.A42 1.A42 C Shift Assignments>> C :: 178.0910 CA :: 59.1120 CB :: 31.5910 CG :: 25.4130 CD :: 28.5980 CE :: 42.3250 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 :: 7.6940 HA :: 3.8550 HB2 :: 2.1630 HB3 :: 1.8680 HG2 :: 1.1070 HG3 :: 1.2460 HD3 :: 1.0540 HE2 :: 2.6900 HE3 :: 2.5430 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 :: 119.6410 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 C 0.36 R 0.08 C Shift Assignments>> C :: 178.4280 CA :: 56.9260 CB :: 41.9130 CG :: 27.0440 CD1 :: 26.0090 CD2 :: 22.9750 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 :: 8.3920 HA :: 3.7390 HB2 :: 2.0760 HB3 :: 2.2390 HG :: 1.8990 HD11 :: 0.7250 HD12 :: 0.7250 HD13 :: 0.7250 HD21 :: 0.5370 HD22 :: 0.5370 HD23 :: 0.5370 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 :: 114.7820 Ave N Shift Values>> N :: 121.86(3.9) 1.A42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.85 M 0.12 C 0.01 HN Overlap>> 1.K40 1.K40 1.Q39 1.Q39 C Shift Assignments>> C :: 176.3960 CA :: 52.6340 CB :: 18.9700 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.6840 HA :: 3.8830 HB1 :: 1.1510 HB2 :: 1.1510 HB3 :: 1.1510 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.6160 Ave N Shift Values>> N :: 123.23(3.54) 1.D43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 L 0.2 N 0.16 F 0.08 Y 0.06 K 0.06 C 0.05 C Shift Assignments>> C :: 177.4310 CA :: 53.8170 CB :: 40.8910 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 :: 7.3050 HA :: 4.2720 HB2 :: 2.3950 HB3 :: 3.0350 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 :: 118.9990 Ave N Shift Values>> N :: 120.65(3.86) 1.Q44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 Q 0.27 K 0.26 R 0.07 E 0.05 M 0.02 I 0.01 C Shift Assignments>> C :: 176.0580 CA :: 57.8850 CB :: 28.5120 CG :: 33.6990 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 :: 9.1780 HA :: 3.8660 HB2 :: 1.7870 HB3 :: 1.9050 HG3 :: 2.1950 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 :: 128.9410 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.N45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.53 D 0.19 C 0.08 F 0.06 Y 0.05 L 0.05 C Shift Assignments>> C :: 174.1130 CA :: 52.7280 CB :: 39.0370 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 :: 8.7250 HA :: 4.4930 HB2 :: 2.6460 HB3 :: 2.4740 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 :: 116.4840 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.33 R 0.23 D 0.18 K 0.05 G 0.05 C 0.04 F 0.04 Y 0.02 N 0.01 C Shift Assignments>> C :: 174.1760 CA :: 53.8160 CB :: 43.1560 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 :: 7.1140 HA :: 4.3650 HB2 :: 1.5010 HB3 :: 1.6360 HD11 :: 0.6350 HD12 :: 0.6350 HD13 :: 0.6350 HD21 :: 0.5410 HD22 :: 0.5410 HD23 :: 0.5410 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 :: 124.7950 Ave N Shift Values>> N :: 121.86(3.9) 1.P47 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 :: 175.6290 CA :: 62.9870 CB :: 32.4990 CG :: 27.0870 CD :: 51.5340 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 :: 4.2010 HB2 :: 1.8130 HB3 :: 1.9940 HG2 :: 1.7860 HG3 :: 1.6910 HD2 :: 3.7540 HD3 :: 3.3480 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.D48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 N 0.23 L 0.14 F 0.11 Y 0.09 C 0.07 K 0.01 C Shift Assignments>> C :: 176.3290 CA :: 54.2040 CB :: 40.1470 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 :: 8.3840 HA :: 4.3080 HB2 :: 1.9880 HB3 :: 2.2610 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 :: 117.5490 Ave N Shift Values>> N :: 120.65(3.86) 1.K49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 K 0.25 R 0.21 G 0.02 C Shift Assignments>> C :: 177.9270 CA :: 60.6470 CB :: 32.9170 CG :: 25.9740 CD :: 29.6400 CE :: 42.6830 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 :: 8.5280 HA :: 3.5430 HB2 :: 1.5140 HB3 :: 1.4190 HG3 :: 1.3790 HD2 :: 1.4350 HD3 :: 1.1410 HE2 :: 2.4180 HE3 :: 2.8680 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 :: 119.8440 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.71 C 0.28 C Shift Assignments>> C :: 176.7770 CA :: 63.0250 CB :: 36.3270 CG1 :: 28.6730 CG2 :: 18.0210 CD1 :: 11.9890 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 :: 8.4090 HA :: 3.5190 HB :: 1.7570 HG12 :: 1.0230 HG13 :: 1.2230 HG21 :: 0.5200 HG22 :: 0.5200 HG23 :: 0.5200 HD11 :: 0.4100 HD12 :: 0.4100 HD13 :: 0.4100 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 :: 117.2070 Ave N Shift Values>> N :: 121.46(4.28) 1.E51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 E 0.3 I 0.17 K 0.1 Q 0.05 C Shift Assignments>> C :: 178.2300 CA :: 59.1120 CB :: 28.6920 CG :: 35.9740 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 :: 7.6580 HA :: 3.9390 HB3 :: 1.7890 HG3 :: 2.0350 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 :: 120.6000 Ave N Shift Values>> N :: 120.67(3.48) 1.Y52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.57 C 0.17 Y 0.12 F 0.1 C Shift Assignments>> C :: 176.6990 CA :: 62.3730 CB :: 38.2930 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 :: 7.9810 HA :: 4.0010 HB2 :: 2.9600 HB3 :: 2.6710 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 :: 120.6260 Ave N Shift Values>> N :: 120.52(4.2) 1.L53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.48 C 0.32 K 0.13 R 0.03 G 0.01 C Shift Assignments>> C :: 179.7980 CA :: 57.6990 CB :: 42.4750 CG :: 26.6230 CD1 :: 25.1870 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 :: 8.5280 HA :: 3.5550 HB2 :: 1.5580 HB3 :: 1.3190 HG :: 1.4410 HD11 :: 0.5340 HD12 :: 0.5340 HD13 :: 0.5340 HD21 :: 0.1490 HD22 :: 0.1490 HD23 :: 0.1490 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 :: 118.2320 Ave N Shift Values>> N :: 121.86(3.9) 1.K54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 K 0.33 R 0.06 C Shift Assignments>> C :: 178.4800 CA :: 60.8380 CB :: 31.9350 CG :: 25.6960 CD :: 29.9970 CE :: 41.5510 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 :: 8.3150 HA :: 3.8600 HB2 :: 1.4310 HB3 :: 1.5850 HG2 :: 1.0390 HD2 :: 1.2130 HE3 :: 2.5580 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 :: 120.7530 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.28 Y 0.24 C 0.11 L 0.1 K 0.08 D 0.07 I 0.07 C Shift Assignments>> C :: 179.5900 CA :: 58.0380 CB :: 40.6500 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 :: 8.2530 HA :: 4.1390 HB2 :: 2.5430 HB3 :: 2.3520 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 :: 123.4870 Ave N Shift Values>> N :: 120.65(3.86) 1.I56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.81 C 0.18 C Shift Assignments>> C :: 177.9900 CA :: 64.9280 CB :: 36.7130 CG1 :: 25.7890 CG2 :: 18.1590 CD1 :: 14.6450 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 :: 8.5930 HA :: 3.3880 HB :: 1.7370 HG12 :: 0.9750 HG13 :: 1.1730 HG21 :: 0.1320 HG22 :: 0.1320 HG23 :: 0.1320 HD11 :: -0.2300 HD12 :: -0.2300 HD13 :: -0.2300 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 :: 115.6200 Ave N Shift Values>> N :: 121.46(4.28) 1.S57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.9 T 0.09 C Shift Assignments>> C :: 174.6750 CA :: 63.9070 CB :: 61.6400 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.8990 HA :: 3.7680 HB3 :: 3.8860 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 :: 119.8750 Ave N Shift Values>> N :: 116.28(3.52) 1.H58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.25 C 0.23 K 0.11 E 0.09 Q 0.08 H 0.07 R 0.07 P 0.01 V 0.01 L 0.01 C Shift Assignments>> C :: 176.1020 CA :: 60.0060 CB :: 28.4630 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 :: 7.8250 HA :: 3.7470 HB2 :: 3.0680 HB3 :: 3.2130 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 :: 120.3940 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.A59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.46 A 0.45 C 0.03 I 0.03 C Shift Assignments>> C :: 180.6600 CA :: 55.2300 CB :: 18.6130 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.3160 HA :: 3.8990 HB1 :: 1.3750 HB2 :: 1.3750 HB3 :: 1.3750 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.7320 Ave N Shift Values>> N :: 123.23(3.54) 1.L60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.36 C 0.3 G 0.26 R 0.05 C Shift Assignments>> C :: 178.1200 CA :: 56.9420 CB :: 44.5660 CG :: 27.3610 CD1 :: 25.7680 CD2 :: 24.4470 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 :: 9.0230 HA :: 4.4010 HB2 :: 1.9160 HB3 :: 1.6560 HG :: 0.8880 HD11 :: 0.4600 HD12 :: 0.4600 HD13 :: 0.4600 HD21 :: 0.2480 HD22 :: 0.2480 HD23 :: 0.2480 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 :: 119.7860 Ave N Shift Values>> N :: 121.86(3.9) 1.K61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 K 0.37 R 0.02 C Shift Assignments>> C :: 176.1260 CA :: 59.5780 CB :: 31.7420 CG :: 23.9250 CD :: 30.2180 CE :: 41.7640 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 :: 7.9170 HA :: 3.8990 HB2 :: 1.4260 HB3 :: 1.5580 HG2 :: 1.2510 HG3 :: 1.1620 HD2 :: 1.4380 HD3 :: 1.3680 HE2 :: 2.8870 HE3 :: 2.6090 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 :: 116.8650 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.9080 CA :: 59.9810 CB :: 62.6890 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.1570 HA :: 4.3710 HB2 :: 3.6060 HB3 :: 3.8160 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 :: 110.3810 Ave N Shift Values>> N :: 116.28(3.52) 1.S63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.A92 1.A92 C Shift Assignments>> C :: 175.9530 CA :: 61.5670 CB :: 62.8730 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.5070 HA :: 3.6290 HB3 :: 3.5520 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 :: 119.6860 Ave N Shift Values>> N :: 116.28(3.52) 1.A64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.55 A 0.36 I 0.04 C 0.02 C Shift Assignments>> C :: 180.2360 CA :: 55.3530 CB :: 18.1700 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.7060 HA :: 3.8110 HB1 :: 1.2090 HB2 :: 1.2090 HB3 :: 1.2090 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.5370 Ave N Shift Values>> N :: 123.23(3.54) 1.A65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.52 M 0.41 C 0.02 I 0.02 C Shift Assignments>> C :: 180.4470 CA :: 54.8060 CB :: 18.5480 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.3690 HA :: 4.0260 HB1 :: 1.3460 HB2 :: 1.3460 HB3 :: 1.3460 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.6040 Ave N Shift Values>> N :: 123.23(3.54) 1.S66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.7810 CA :: 61.7780 CB :: 62.6690 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.6860 HA :: 3.8380 HB3 :: 3.7010 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 :: 114.5970 Ave N Shift Values>> N :: 116.28(3.52) 1.F67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.3 F 0.28 C 0.16 I 0.12 D 0.04 L 0.03 N 0.01 C Shift Assignments>> C :: 175.7540 CA :: 58.1550 CB :: 39.2220 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 :: 6.9270 HA :: 4.1480 HB2 :: 2.5340 HB3 :: 2.3390 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 :: 112.4460 Ave N Shift Values>> N :: 120.45(4.18) 1.G68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.83 C 0.07 L 0.04 A 0.01 P 0.01 C Shift Assignments>> C :: 172.7480 CA :: 47.2590 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.5770 HA2 :: 3.9230 HA3 :: 3.6620 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.7110 Ave N Shift Values>> N :: 109.67(3.87) 1.A69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.79 M 0.19 C 0.01 C Shift Assignments>> C :: 177.1750 CA :: 50.0990 CB :: 16.1770 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.3710 HA :: 5.2650 HB1 :: 1.3800 HB2 :: 1.3800 HB3 :: 1.3800 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.8160 Ave N Shift Values>> N :: 123.23(3.54) 1.D70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.3 Y 0.29 C 0.14 I 0.13 L 0.05 D 0.04 K 0.01 C Shift Assignments>> C :: 178.3330 CA :: 58.6610 CB :: 39.9930 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 :: 7.4480 HA :: 4.2010 HB2 :: 3.2880 HB3 :: 2.8490 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 :: 122.5550 Ave N Shift Values>> N :: 120.65(3.86) 1.K71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 K 0.28 R 0.16 C Shift Assignments>> C :: 178.4310 CA :: 60.7230 CB :: 32.8510 CG :: 26.2580 CD :: 29.8370 CE :: 41.9840 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 :: 8.0710 HA :: 3.6900 HB2 :: 1.5700 HB3 :: 1.3620 HG3 :: 0.9030 HD3 :: 1.1380 HE3 :: 2.7060 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 :: 122.5750 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.34 L 0.32 C 0.31 C Shift Assignments>> C :: 176.6320 CA :: 57.5890 CB :: 41.6280 CG :: 27.8200 CD1 :: 24.2240 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 :: 8.7240 HA :: 3.9450 HB2 :: 0.9880 HB3 :: 1.2860 HG :: 1.8410 HD11 :: 0.8380 HD12 :: 0.8380 HD13 :: 0.8380 HD21 :: 0.7160 HD22 :: 0.7160 HD23 :: 0.7160 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 :: 121.5010 Ave N Shift Values>> N :: 121.86(3.9) 1.C73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.5 I 0.37 C 0.1 C Shift Assignments>> C :: 175.0040 CA :: 63.3700 CB :: 26.8320 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.0540 HA :: 3.4330 HB2 :: 3.4330 HB3 :: 2.8170 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 :: 118.9170 Ave N Shift Values>> N :: 120.17(4.64) 1.A74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.57 A 0.35 I 0.04 C 0.02 C Shift Assignments>> C :: 179.9710 CA :: 55.2320 CB :: 17.9720 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.1050 HA :: 3.8450 HB1 :: 1.2520 HB2 :: 1.2520 HB3 :: 1.2520 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.2700 Ave N Shift Values>> N :: 123.23(3.54) 1.K75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 K 0.37 R 0.24 C Shift Assignments>> C :: 176.7820 CA :: 57.6930 CB :: 31.4610 CG :: 24.5360 CD :: 28.3190 CE :: 42.0960 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 :: 7.5640 HA :: 4.3250 HB2 :: 1.7210 HB3 :: 1.9970 HG3 :: 0.5890 HD3 :: 1.5000 HE2 :: 2.3210 HE3 :: 2.4450 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 :: 120.3590 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.53 A 0.38 I 0.03 C 0.02 C Shift Assignments>> C :: 178.9410 CA :: 55.2380 CB :: 18.1880 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.3610 HA :: 4.0110 HB1 :: 1.3960 HB2 :: 1.3960 HB3 :: 1.3960 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.4680 Ave N Shift Values>> N :: 123.23(3.54) 1.V77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.77 C 0.22 C Shift Assignments>> C :: 177.9190 CA :: 66.8650 CB :: 31.9700 CG1 :: 24.4320 CG2 :: 20.9590 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 :: 8.8230 HA :: 3.2240 HB :: 1.9380 HG11 :: 0.8660 HG12 :: 0.8660 HG13 :: 0.8660 HG21 :: 0.7320 HG22 :: 0.7320 HG23 :: 0.7320 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 :: 118.0550 Ave N Shift Values>> N :: 121.14(4.54) 1.D78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.22 R 0.17 F 0.16 L 0.15 Y 0.11 C 0.08 D 0.04 I 0.02 HN Overlap>> 1.K84 1.K84 C Shift Assignments>> C :: 177.3930 CA :: 58.1150 CB :: 42.3520 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 :: 7.8390 HA :: 3.9730 HB2 :: 2.6520 HB3 :: 2.9100 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 :: 121.7870 Ave N Shift Values>> N :: 120.65(3.86) 1.I79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.81 C 0.18 HN Overlap>> 1.N9 1.N9 C Shift Assignments>> C :: 177.5270 CA :: 64.5980 CB :: 36.5590 CG1 :: 28.8450 CG2 :: 17.3820 CD1 :: 12.0020 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 :: 8.4160 HA :: 3.3380 HB :: 1.5460 HG12 :: 1.1290 HG13 :: 1.0140 HG21 :: 0.9830 HG22 :: 0.9830 HG23 :: 0.9830 HD11 :: 0.4440 HD12 :: 0.4440 HD13 :: 0.4440 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 :: 119.1120 Ave N Shift Values>> N :: 121.46(4.28) 1.D80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.36 L 0.23 F 0.09 G 0.08 C 0.07 Y 0.05 K 0.04 D 0.04 C Shift Assignments>> C :: 178.2400 CA :: 57.4630 CB :: 43.5880 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 :: 8.6790 HA :: 4.2180 HB2 :: 2.2260 HB3 :: 2.5330 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 :: 119.5130 Ave N Shift Values>> N :: 120.65(3.86) 1.S81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.9010 CA :: 61.6860 CB :: 63.0640 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.5920 HA :: 3.9380 HB3 :: 3.8190 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 :: 114.1200 Ave N Shift Values>> N :: 116.28(3.52) 1.K82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 K 0.29 R 0.19 C Shift Assignments>> C :: 178.9980 CA :: 59.7790 CB :: 33.3460 CG :: 26.5890 CD :: 29.4430 CE :: 41.9080 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 :: 8.5310 HA :: 3.8000 HB2 :: 1.6030 HB3 :: 1.3880 HG2 :: 1.0240 HG3 :: 1.1710 HD3 :: 1.2230 HE3 :: 2.5770 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 :: 124.1060 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 C 0.05 L 0.05 C Shift Assignments>> C :: 176.4560 CA :: 46.7840 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.0710 HA2 :: 3.6890 HA3 :: 3.8110 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.7850 Ave N Shift Values>> N :: 109.67(3.87) 1.K84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 K 0.4 R 0.16 HN Overlap>> 1.D78 1.D78 C Shift Assignments>> C :: 176.4700 CA :: 58.3450 CB :: 32.5550 CG :: 25.6320 CD :: 29.0990 CE :: 42.2150 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 :: 7.7420 HA :: 3.9290 HB2 :: 1.4230 HB3 :: 1.6390 HG2 :: 1.1110 HG3 :: 1.2620 HD3 :: 1.3950 HE2 :: 2.3810 HE3 :: 2.5450 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 :: 121.8240 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.91 M 0.06 C 0.01 C Shift Assignments>> C :: 175.9340 CA :: 51.6310 CB :: 19.2910 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.4500 HA :: 4.1950 HB1 :: 0.6050 HB2 :: 0.6050 HB3 :: 0.6050 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.3200 Ave N Shift Values>> N :: 123.23(3.54) 1.N86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.34 C 0.19 E 0.12 Y 0.1 F 0.07 M 0.06 D 0.04 K 0.01 L 0.01 I 0.01 C Shift Assignments>> C :: 174.1930 CA :: 54.2790 CB :: 37.1780 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 :: 7.9220 HA :: 4.2060 HB2 :: 2.5680 HB3 :: 2.7730 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 :: 115.2300 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.C87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.19 K 0.14 I 0.13 Q 0.13 E 0.12 R 0.11 H 0.1 L 0.03 M 0.01 C Shift Assignments>> C :: 173.1040 CA :: 58.8140 CB :: 28.2970 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.9280 HA :: 4.2250 HB2 :: 2.5750 HB3 :: 2.9090 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 :: 115.6240 Ave N Shift Values>> N :: 120.17(4.64) 1.I88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.65 C 0.34 C Shift Assignments>> C :: 175.0740 CA :: 61.0300 CB :: 37.4110 CG1 :: 27.6160 CG2 :: 17.3810 CD1 :: 12.6230 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 :: 8.1290 HA :: 3.7980 HB :: 1.5460 HG12 :: 1.4420 HG13 :: 1.1390 HG21 :: 0.7880 HG22 :: 0.7880 HG23 :: 0.7880 HD11 :: 0.5500 HD12 :: 0.5500 HD13 :: 0.5500 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 :: 122.7140 Ave N Shift Values>> N :: 121.46(4.28) 1.F89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.21 K 0.17 Y 0.17 L 0.16 D 0.11 C 0.08 I 0.03 R 0.02 N 0.01 C Shift Assignments>> C :: 174.6500 CA :: 57.2710 CB :: 41.1690 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 :: 8.3350 HA :: 4.4400 HB2 :: 2.6460 HB3 :: 2.8020 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 :: 125.5680 Ave N Shift Values>> N :: 120.45(4.18) 1.D90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.36 N 0.21 L 0.17 F 0.07 Y 0.05 C 0.05 K 0.04 HN Overlap>> 1.E4 1.E4 C Shift Assignments>> C :: 174.8560 CA :: 53.3200 CB :: 40.7340 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 :: 8.9750 HA :: 4.5290 HB2 :: 2.2640 HB3 :: 2.8320 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 :: 122.5010 Ave N Shift Values>> N :: 120.65(3.86) 1.E91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 E 0.23 I 0.21 M 0.02 K 0.01 C Shift Assignments>> C :: 176.1180 CA :: 60.9540 CB :: 30.5790 CG :: 36.8060 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 :: 8.5800 HA :: 3.3810 HB3 :: 1.8400 HG2 :: 1.9930 HG3 :: 1.7840 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 :: 125.0950 Ave N Shift Values>> N :: 120.67(3.48) 1.A92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.53 A 0.38 I 0.04 C 0.03 HN Overlap>> 1.S63 1.S63 C Shift Assignments>> C :: 180.7890 CA :: 55.3530 CB :: 18.3140 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.4240 HA :: 4.0590 HB1 :: 1.1320 HB2 :: 1.1320 HB3 :: 1.1320 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.6420 Ave N Shift Values>> N :: 123.23(3.54) 1.E93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 E 0.34 K 0.09 I 0.09 Q 0.08 M 0.03 C Shift Assignments>> C :: 178.9750 CA :: 59.0520 CB :: 29.6910 CG :: 35.7520 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 :: 8.0430 HA :: 3.8430 HB2 :: 1.6680 HB3 :: 1.7910 HG2 :: 2.1790 HG3 :: 2.0150 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 :: 118.8910 Ave N Shift Values>> N :: 120.67(3.48) 1.E94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 Q 0.22 K 0.21 E 0.18 I 0.03 M 0.02 R 0.01 C Shift Assignments>> C :: 179.2870 CA :: 58.3450 CB :: 29.1800 CG :: 34.6860 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 :: 8.3270 HA :: 3.6250 HB2 :: 1.9680 HB3 :: 1.8000 HG3 :: 2.2620 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 :: 118.6410 Ave N Shift Values>> N :: 120.67(3.48) 1.V95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.85 C 0.14 HN Overlap>> 1.Y109 1.Y109 C Shift Assignments>> C :: 176.8350 CA :: 67.5270 CB :: 31.8760 CG1 :: 24.1620 CG2 :: 21.6910 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 :: 8.5060 HA :: 3.2440 HB :: 1.9680 HG11 :: 0.7640 HG12 :: 0.7640 HG13 :: 0.7640 HG21 :: 0.7410 HG22 :: 0.7410 HG23 :: 0.7410 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 :: 119.2410 Ave N Shift Values>> N :: 121.14(4.54) 1.A96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.64 A 0.29 I 0.03 C 0.01 C Shift Assignments>> C :: 179.1640 CA :: 54.9690 CB :: 17.2160 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.6050 HA :: 3.9350 HB1 :: 1.4450 HB2 :: 1.4450 HB3 :: 1.4450 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.1200 Ave N Shift Values>> N :: 123.23(3.54) 1.A97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.5 M 0.43 C 0.02 I 0.02 C Shift Assignments>> C :: 180.6630 CA :: 54.8540 CB :: 18.4910 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 6.5530 HA :: 3.9530 HB1 :: 1.2810 HB2 :: 1.2810 HB3 :: 1.2810 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.6860 Ave N Shift Values>> N :: 123.23(3.54) 1.M98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 M 0.36 Q 0.15 K 0.03 E 0.01 C Shift Assignments>> C :: 176.8880 CA :: 58.0000 CB :: 32.7680 CG :: 31.7510 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 :: 8.4640 HA :: 3.9910 HB2 :: 1.7920 HB3 :: 1.3860 HG2 :: 1.9990 HG3 :: 2.1840 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 :: 118.3600 Ave N Shift Values>> N :: 120.09(3.57) 1.R99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 R 0.32 G 0.14 K 0.02 C Shift Assignments>> C :: 177.2160 CA :: 60.7620 CB :: 30.2370 CG :: 27.8580 CD :: 43.6660 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 :: 8.8130 HA :: 3.6290 HB2 :: 1.7320 HB3 :: 1.5660 HG2 :: 1.4220 HG3 :: 1.1130 HD2 :: 2.8000 HD3 :: 2.6650 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 :: 119.4440 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.A100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.53 A 0.39 I 0.03 C 0.02 C Shift Assignments>> C :: 179.5290 CA :: 55.1230 CB :: 18.1040 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.9180 HA :: 4.0000 HB1 :: 1.2670 HB2 :: 1.2670 HB3 :: 1.2670 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.9340 Ave N Shift Values>> N :: 123.23(3.54) 1.L101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.4 C 0.34 R 0.22 G 0.01 C Shift Assignments>> C :: 180.4040 CA :: 57.2980 CB :: 42.5870 CG :: 27.5810 CD1 :: 26.4790 CD2 :: 23.7720 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 :: 7.7320 HA :: 4.1600 HB3 :: 1.3500 HG :: 1.5270 HD11 :: 0.6400 HD12 :: 0.6400 HD13 :: 0.6400 HD21 :: 0.6800 HD22 :: 0.6800 HD23 :: 0.6800 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 :: 119.1830 Ave N Shift Values>> N :: 121.86(3.9) 1.I102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.66 I 0.32 C Shift Assignments>> C :: 176.8550 CA :: 67.3600 CB :: 37.9390 CG1 :: 31.6710 CG2 :: 20.1310 CD1 :: 14.8070 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 :: 8.9920 HA :: 3.3180 HB :: 1.8860 HG12 :: 1.3050 HG13 :: 1.6470 HG21 :: 0.7730 HG22 :: 0.7730 HG23 :: 0.7730 HD11 :: 0.6030 HD12 :: 0.6030 HD13 :: 0.6030 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 :: 124.3140 Ave N Shift Values>> N :: 121.46(4.28) 1.E103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 I 0.37 E 0.19 K 0.01 C Shift Assignments>> C :: 179.2380 CA :: 60.2790 CB :: 29.2780 CG :: 37.3350 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 :: 8.4640 HA :: 3.6200 HB3 :: 1.9680 HG3 :: 2.3090 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 :: 120.1040 Ave N Shift Values>> N :: 120.67(3.48) 1.E104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 E 0.37 M 0.08 I 0.05 Q 0.02 K 0.01 C Shift Assignments>> C :: 176.8200 CA :: 58.9560 CB :: 30.9050 CG :: 36.4790 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 :: 8.5330 HA :: 3.8520 HB2 :: 2.0210 HB3 :: 1.8810 HG2 :: 2.4220 HG3 :: 2.1730 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 :: 119.5030 Ave N Shift Values>> N :: 120.67(3.48) 1.T105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 C 0.02 HN Overlap>> 1.M3 1.M3 C Shift Assignments>> C :: 174.7780 CA :: 68.6810 CB :: 69.6440 CG2 :: 22.4090 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 :: 8.6100 HA :: 4.1660 HB :: 3.6250 HG21 :: 1.0910 HG22 :: 1.0910 HG23 :: 1.0910 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 :: 121.9320 Ave N Shift Values>> N :: 115.42(4.75) 1.H106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 V 0.25 P 0.16 I 0.08 R 0.05 E 0.05 H 0.04 K 0.02 Q 0.02 M 0.01 HN Overlap>> 1.A36 1.A36 C Shift Assignments>> C :: 176.3780 CA :: 61.5580 CB :: 30.8570 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 :: 9.1560 HA :: 4.4330 HB2 :: 2.7110 HB3 :: 3.0880 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 :: 122.6930 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.R107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 R 0.38 G 0.1 K 0.02 HN Overlap>> 1.Y37 1.Y37 C Shift Assignments>> C :: 178.1550 CA :: 60.0540 CB :: 30.4500 CG :: 27.5840 CD :: 43.5610 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 :: 8.2580 HA :: 3.7910 HB2 :: 1.7540 HB3 :: 1.5920 HG2 :: 1.4320 HG3 :: 1.6220 HD3 :: 3.0440 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 :: 117.7120 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.C108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.46 I 0.38 C 0.11 R 0.01 C Shift Assignments>> C :: 177.2170 CA :: 62.9970 CB :: 26.9880 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.7910 HA :: 4.2480 HB2 :: 2.7920 HB3 :: 2.6070 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 :: 116.4620 Ave N Shift Values>> N :: 120.17(4.64) 1.Y109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.56 C 0.14 F 0.14 Y 0.14 HN Overlap>> 1.V95 1.V95 C Shift Assignments>> C :: 177.5910 CA :: 62.4750 CB :: 39.4460 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 :: 8.4310 HA :: 4.3860 HB2 :: 2.5570 HB3 :: 2.7330 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 :: 119.3050 Ave N Shift Values>> N :: 120.52(4.2) 1.C110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.44 I 0.39 C 0.13 R 0.01 C Shift Assignments>> C :: 175.3980 CA :: 62.8490 CB :: 26.5750 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.1680 HA :: 3.8440 HB2 :: 2.6400 HB3 :: 2.3500 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 :: 117.3300 Ave N Shift Values>> N :: 120.17(4.64) 1.H111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.19 K 0.18 H 0.15 C 0.13 E 0.13 R 0.1 L 0.04 M 0.03 I 0.02 C Shift Assignments>> C :: 174.8650 CA :: 56.1780 CB :: 28.7300 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 :: 7.5250 HA :: 4.5130 HB2 :: 2.7970 HB3 :: 3.2400 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 :: 116.1480 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.L112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 C 0.36 R 0.04 G 0.03 HN Overlap>> 1.K10 1.K10 C Shift Assignments>> C :: 177.0640 CA :: 57.3870 CB :: 42.8370 CG :: 26.9970 CD1 :: 24.4670 CD2 :: 24.7670 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 :: 7.5120 HA :: 3.3080 HB3 :: 1.4760 HG :: 0.6420 HD11 :: 0.1770 HD12 :: 0.1770 HD13 :: 0.1770 HD21 :: 0.4530 HD22 :: 0.4530 HD23 :: 0.4530 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 :: 121.0710 Ave N Shift Values>> N :: 121.86(3.9) 1.M113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.37 C 0.36 Q 0.21 E 0.03 K 0.01 C Shift Assignments>> C :: 174.7680 CA :: 54.5320 CB :: 32.1640 CG :: 33.5440 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 :: 8.0990 HA :: 4.3360 HB2 :: 2.0340 HB3 :: 1.7410 HG2 :: 2.1980 HG3 :: 2.3510 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 :: 115.4850 Ave N Shift Values>> N :: 120.09(3.57) 1.D114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.24 L 0.2 F 0.14 D 0.12 Y 0.11 R 0.07 C 0.06 I 0.01 N 0.01 C Shift Assignments>> C :: 180.6430 CA :: 56.7320 CB :: 41.7690 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 :: 7.4790 HA :: 4.3180 HB3 :: 2.6630 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 :: 126.0770 Ave N Shift Values>> N :: 120.65(3.86) ########################################################################### Overall Results: #Consistent: 114 #Clerical: 0 #Suspicious: 0 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 113 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 1 Shift Relative Order (SRO) Results: #Consistent: 114 #Suspicious: 0 C Shift Results: #Consistent: 461 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 705 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 111 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0