Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> M 0.72 A 0.26 C Shift Assignments>> CA :: 54.9000 CB :: 33.4700 CG :: 30.9000 CE :: 16.8020 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>> HA :: 4.0900 HB2 :: 2.1330 HB3 :: 2.1330 HG2 :: 2.6300 HG3 :: 2.5700 HE1 :: 2.0680 HE2 :: 2.0680 HE3 :: 2.0680 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) 1.D2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> D 0.27 L 0.26 K 0.17 F 0.09 Y 0.07 N 0.05 R 0.04 C Shift Assignments>> C :: 176.2620 CA :: 54.7480 CB :: 41.6340 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>> HA :: 4.6270 HB2 :: 2.6620 HB3 :: 2.7170 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) 1.D3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.22 L 0.22 K 0.16 F 0.16 Y 0.13 N 0.04 R 0.01 I 0.01 C Shift Assignments>> C :: 177.9020 CA :: 55.8960 CB :: 41.1620 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 :: 8.5350 HA :: 4.4710 HB2 :: 2.6480 HB3 :: 2.7100 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 :: 122.3420 Ave N Shift Values>> N :: 120.65(3.86) 1.I4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 177.6450 CA :: 63.5320 CB :: 37.7170 CG1 :: 27.1230 CG2 :: 17.1880 CD1 :: 13.3730 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 :: 8.2270 HA :: 3.9170 HB :: 1.6800 HG12 :: 0.9560 HG13 :: 0.9560 HG21 :: 0.5950 HG22 :: 0.5950 HG23 :: 0.5950 HD11 :: 0.6940 HD12 :: 0.6940 HD13 :: 0.6940 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 :: 119.6880 Ave N Shift Values>> N :: 121.46(4.28) 1.Y5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 176.9450 CA :: 59.8020 CB :: 37.8070 CD1 :: 132.5990 CE1 :: 118.5800 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 :: 7.7350 HA :: 4.4230 HB2 :: 3.0830 HB3 :: 2.9250 HD2 :: 7.0440 HE1 :: 6.7860 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 :: 121.0920 Ave N Shift Values>> N :: 120.52(4.2) 1.K6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.86 R 0.12 C Shift Assignments>> C :: 178.6730 CA :: 59.4000 CB :: 32.4010 CG :: 25.1730 CD :: 29.2000 CE :: 41.8400 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 :: 7.9520 HA :: 3.9760 HB2 :: 1.8610 HB3 :: 1.8610 HG2 :: 1.3830 HG3 :: 1.5000 HD2 :: 1.7100 HD3 :: 1.7100 HE2 :: 2.9870 HE3 :: 2.9870 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 :: 120.9140 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.5 M 0.47 I 0.01 C Shift Assignments>> C :: 179.6620 CA :: 54.4070 CB :: 17.9540 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.9410 HA :: 4.1570 HB1 :: 1.4070 HB2 :: 1.4070 HB3 :: 1.4070 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.3860 Ave N Shift Values>> N :: 123.23(3.54) 1.A8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.56 M 0.41 I 0.01 C Shift Assignments>> C :: 180.6030 CA :: 54.5090 CB :: 18.3900 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.5540 HA :: 4.1640 HB1 :: 1.5140 HB2 :: 1.5140 HB3 :: 1.5140 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.9850 Ave N Shift Values>> N :: 123.23(3.54) 1.V9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.R46 1.R46 C Shift Assignments>> C :: 178.5990 CA :: 65.9750 CB :: 31.7830 CG1 :: 21.9160 CG2 :: 23.2350 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 :: 8.0740 HA :: 3.5990 HB :: 2.2010 HG11 :: 0.9210 HG12 :: 0.9210 HG13 :: 0.9210 HG21 :: 0.9740 HG22 :: 0.9740 HG23 :: 0.9740 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 :: 118.5520 Ave N Shift Values>> N :: 121.14(4.54) 1.E10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.6 I 0.18 K 0.11 Q 0.05 M 0.03 C Shift Assignments>> C :: 177.3600 CA :: 58.1830 CB :: 29.4420 CG :: 36.5000 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 :: 7.8550 HA :: 4.1180 HB2 :: 2.1410 HB3 :: 2.1410 HG2 :: 2.4500 HG3 :: 2.3200 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 :: 118.8130 Ave N Shift Values>> N :: 120.67(3.48) 1.Q11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.41 K 0.34 E 0.12 M 0.07 R 0.03 C Shift Assignments>> C :: 176.7080 CA :: 55.5580 CB :: 29.2820 CG :: 34.0750 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 :: 7.4120 HA :: 4.3000 HB2 :: 2.3260 HB3 :: 2.0540 HG2 :: 2.5150 HG3 :: 2.4750 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 :: 115.0640 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 R 0.29 G 0.09 A 0.04 C Shift Assignments>> C :: 178.0330 CA :: 54.9490 CB :: 43.1750 CG :: 26.3770 CD1 :: 27.3030 CD2 :: 23.1290 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 :: 7.3850 HA :: 4.5270 HB2 :: 1.4600 HB3 :: 1.9340 HG :: 2.1540 HD11 :: 0.9700 HD12 :: 0.9700 HD13 :: 0.9700 HD21 :: 0.9230 HD22 :: 0.9230 HD23 :: 0.9230 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 :: 120.6030 Ave N Shift Values>> N :: 121.86(3.9) 1.T13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.6690 CA :: 60.6120 CB :: 70.9650 CG2 :: 21.8460 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 :: 8.8750 HA :: 4.4410 HB :: 4.8150 HG21 :: 1.3900 HG22 :: 1.3900 HG23 :: 1.3900 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 :: 113.6570 Ave N Shift Values>> N :: 115.42(4.75) 1.E14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.5 I 0.3 K 0.11 Q 0.05 M 0.01 C Shift Assignments>> C :: 178.7710 CA :: 59.7020 CB :: 29.2570 CG :: 36.1360 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 :: 9.0100 HA :: 3.9690 HB2 :: 2.0890 HB3 :: 2.0890 HG2 :: 2.3800 HG3 :: 2.3410 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 :: 121.8300 Ave N Shift Values>> N :: 120.67(3.48) 1.E15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.53 E 0.39 K 0.04 Q 0.01 HN Overlap>> 1.N18 1.N18 C Shift Assignments>> C :: 179.5050 CA :: 60.2820 CB :: 29.2100 CG :: 36.8700 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 :: 8.5860 HA :: 4.0370 HB2 :: 1.9140 HB3 :: 1.9140 HG2 :: 2.2900 HG3 :: 2.2900 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 :: 117.7360 Ave N Shift Values>> N :: 120.67(3.48) 1.Q16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.35 Q 0.27 K 0.23 M 0.07 I 0.05 HN Overlap>> 1.K86 1.K86 C Shift Assignments>> C :: 178.6270 CA :: 58.6760 CB :: 29.7900 CG :: 34.9000 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 :: 7.8320 HA :: 3.8760 HB2 :: 1.6740 HB3 :: 2.3620 HG2 :: 2.3440 HG3 :: 2.2550 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 :: 119.2610 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.48 K 0.47 G 0.03 C Shift Assignments>> C :: 178.7710 CA :: 61.5900 CB :: 32.2100 CG :: 27.2000 CD :: 29.3500 CE :: 41.7700 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 :: 8.5180 HA :: 4.0030 HB2 :: 2.0030 HB3 :: 2.0030 HG2 :: 1.7300 HG3 :: 1.4800 HD2 :: 1.7800 HD3 :: 1.7800 HE2 :: 2.8800 HE3 :: 2.9800 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 :: 118.9300 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.27 F 0.2 E 0.16 N 0.15 D 0.05 I 0.05 M 0.05 L 0.02 HN Overlap>> 1.E15 1.E15 C Shift Assignments>> C :: 178.6480 CA :: 56.1360 CB :: 37.7240 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 :: 8.5520 HA :: 4.5470 HB2 :: 2.8100 HB3 :: 2.9910 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 :: 117.6760 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.51 I 0.37 K 0.07 Q 0.02 M 0.01 HN Overlap>> 1.K39 1.A117 1.K39 1.A117 C Shift Assignments>> C :: 178.9150 CA :: 59.6120 CB :: 29.3570 CG :: 36.6910 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 :: 8.0300 HA :: 4.1740 HB2 :: 2.0390 HB3 :: 1.9150 HG2 :: 2.3670 HG3 :: 2.1640 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 :: 123.5250 Ave N Shift Values>> N :: 120.67(3.48) 1.F20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.57 Y 0.42 C Shift Assignments>> C :: 178.7700 CA :: 59.8840 CB :: 37.9520 CD1 :: 130.7000 CE1 :: 130.8100 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 :: 8.3430 HA :: 4.9040 HB2 :: 3.4580 HB3 :: 3.4580 HD1 :: 7.2600 HE1 :: 7.2080 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 :: 117.4750 Ave N Shift Values>> N :: 120.45(4.18) 1.K21 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.53 K 0.45 G 0.01 C Shift Assignments>> C :: 177.0130 CA :: 58.5800 CB :: 31.6020 CG :: 24.3400 CD :: 27.0790 CE :: 41.9600 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 :: 8.8700 HA :: 4.0200 HB2 :: 2.0480 HB3 :: 1.7650 HG2 :: 1.1850 HG3 :: 1.1850 HD2 :: 1.4800 HD3 :: 0.4600(S) HE2 :: 2.7200 HE3 :: 2.6500 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 :: 122.1210 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.6 A 0.36 I 0.03 C Shift Assignments>> C :: 180.7730 CA :: 54.9350 CB :: 17.6230 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.9620 HA :: 4.2070 HB1 :: 1.5730 HB2 :: 1.5730 HB3 :: 1.5730 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.5850 Ave N Shift Values>> N :: 123.23(3.54) 1.A23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.54 M 0.41 I 0.02 HN Overlap>> 1.E59 1.E59 C Shift Assignments>> C :: 178.7830 CA :: 55.0800 CB :: 18.8810 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.0300 HA :: 4.1200 HB1 :: 1.8830 HB2 :: 1.8830 HB3 :: 1.8830 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.1180 Ave N Shift Values>> N :: 123.23(3.54) 1.F24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.54 Y 0.45 C Shift Assignments>> C :: 176.3660 CA :: 62.3500 CB :: 39.7240 CD1 :: 131.7200 CE1 :: 130.4300 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 :: 8.8090 HA :: 3.4520 HB2 :: 3.2070 HB3 :: 2.8790 HD1 :: 7.1600 HE1 :: 7.5400 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 :: 121.0340 Ave N Shift Values>> N :: 120.45(4.18) 1.D25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.29 Y 0.28 D 0.15 L 0.12 I 0.05 N 0.05 K 0.01 C Shift Assignments>> C :: 179.1420 CA :: 56.8660 CB :: 39.9240 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 :: 8.7070 HA :: 4.2650 HB2 :: 2.7760 HB3 :: 2.5090 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 :: 117.1180 Ave N Shift Values>> N :: 120.65(3.86) 1.I26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 178.5180 CA :: 63.7100 CB :: 37.5810 CG1 :: 28.7050 CG2 :: 17.6070 CD1 :: 13.0060 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 :: 7.3430 HA :: 3.7800 HB :: 2.0480 HG12 :: 1.7440 HG13 :: 1.2470 HG21 :: 0.8480 HG22 :: 0.8480 HG23 :: 0.8480 HD11 :: 0.8390 HD12 :: 0.8390 HD13 :: 0.8390 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 :: 119.4540 Ave N Shift Values>> N :: 121.46(4.28) 1.F27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.59 Y 0.4 C Shift Assignments>> C :: 178.7900 CA :: 60.2260 CB :: 40.1980 CD1 :: 131.8000 CE1 :: 131.0200 CZ :: 128.7000 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 :: 8.0510 HA :: 3.9860 HB2 :: 3.1750 HB3 :: 2.8020 HD1 :: 7.2250 HE1 :: 7.3000 HZ :: 7.1700 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 :: 121.8530 Ave N Shift Values>> N :: 120.45(4.18) 1.V28 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> V 0.99 C Shift Assignments>> C :: 176.2620 CA :: 61.1990 CB :: 31.4560 CG1 :: 21.7290 CG2 :: 18.6260 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 :: 7.4690 HA :: 4.0400 HB :: 1.9940 HG11 :: 0.0490 HG12 :: 0.0490 HG13 :: 0.0490 HG21 :: 0.6280 HG22 :: 0.6280 HG23 :: 0.6280 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 :: 105.6840(S) Ave N Shift Values>> N :: 121.14(4.54) 1.L29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.98 C Shift Assignments>> C :: 178.6330 CA :: 57.2150 CB :: 41.3010 CG :: 26.5450 CD1 :: 24.8520 CD2 :: 24.2560 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 :: 7.2620 HA :: 4.0900 HB2 :: 1.5880 HB3 :: 1.7780 HG :: 1.8060 HD11 :: 0.9420 HD12 :: 0.9420 HD13 :: 0.9420 HD21 :: 0.8830 HD22 :: 0.8830 HD23 :: 0.8830 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 :: 125.8450 Ave N Shift Values>> N :: 121.86(3.9) 1.G30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.1 R 0.01 F 0.01 C Shift Assignments>> C :: 174.2170 CA :: 45.2800 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.9160 HA2 :: 4.1000 HA3 :: 3.7400 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.7990 Ave N Shift Values>> N :: 109.67(3.87) 1.A31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.93 M 0.05 L 0.01 C Shift Assignments>> C :: 179.2570 CA :: 52.0300 CB :: 19.7550 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.0590 HA :: 4.4460 HB1 :: 1.5040 HB2 :: 1.5040 HB3 :: 1.5040 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.1910 Ave N Shift Values>> N :: 123.23(3.54) 1.E32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.6 I 0.22 K 0.08 M 0.04 Q 0.04 C Shift Assignments>> C :: 177.3380 CA :: 58.8900 CB :: 29.7170 CG :: 36.5300 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 :: 9.1710 HA :: 4.0920 HB2 :: 2.0480 HB3 :: 2.0480 HG2 :: 2.3300 HG3 :: 2.3300 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 :: 124.8030 Ave N Shift Values>> N :: 120.67(3.48) 1.D33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.38 L 0.22 N 0.16 K 0.08 F 0.06 Y 0.04 R 0.01 C Shift Assignments>> C :: 177.8270 CA :: 53.0310 CB :: 41.2530 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 :: 8.1920 HA :: 4.7470 HB2 :: 2.9260 HB3 :: 2.6260 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 :: 115.9330 Ave N Shift Values>> N :: 120.65(3.86) 1.G34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.06 C Shift Assignments>> C :: 172.8130 CA :: 46.4640 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.6410 HA2 :: 3.9760 HA3 :: 3.9080 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.6770 Ave N Shift Values>> N :: 109.67(3.87) 1.S35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.95 T 0.04 C Shift Assignments>> C :: 171.8740 CA :: 57.1880 CB :: 65.9950 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.6550 HA :: 4.9470 HB2 :: 3.6470 HB3 :: 3.5010 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 :: 113.4070 Ave N Shift Values>> N :: 116.28(3.52) 1.I36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 174.9980 CA :: 62.7090 CB :: 39.5940 CG1 :: 28.5460 CG2 :: 18.1540 CD1 :: 14.8760 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 :: 8.9410 HA :: 3.8010 HB :: 1.9770 HG12 :: 1.4330 HG13 :: 1.4330 HG21 :: 0.8260 HG22 :: 0.8260 HG23 :: 0.8260 HD11 :: 0.2480 HD12 :: 0.2480 HD13 :: 0.2480 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 :: 119.4810 Ave N Shift Values>> N :: 121.46(4.28) 1.S37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.62 T 0.37 C Shift Assignments>> C :: 175.8710 CA :: 56.8960 CB :: 67.1050 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.6050 HA :: 5.1490 HB2 :: 4.5700 HB3 :: 4.2100 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 :: 126.4740 Ave N Shift Values>> N :: 116.28(3.52) 1.T38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 176.6560 CA :: 66.4420 CB :: 68.0960 CG2 :: 22.6890 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 :: 8.8710 HA :: 3.7280 HB :: 4.2400 HG21 :: 1.3000 HG22 :: 1.3000 HG23 :: 1.3000 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 :: 111.5020 Ave N Shift Values>> N :: 115.42(4.75) 1.K39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.85 R 0.13 G 0.01 HN Overlap>> 1.E19 1.E19 1.A117 1.A117 C Shift Assignments>> C :: 178.9100 CA :: 59.5280 CB :: 32.1350 CG :: 24.7870 CD :: 29.2730 CE :: 41.9390 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 :: 8.0370 HA :: 4.0560 HB2 :: 1.8420 HB3 :: 1.7170 HG2 :: 1.4840 HG3 :: 1.3120 HE2 :: 3.0100 HE3 :: 3.0100 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 :: 123.4660 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.92 E 0.06 C Shift Assignments>> C :: 178.8180 CA :: 61.0020 CB :: 30.0740 CG :: 38.8170 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 :: 7.7000 HA :: 4.1730 HB2 :: 2.4980 HB3 :: 2.3830 HG2 :: 2.5930 HG3 :: 2.3320 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 :: 119.9250 Ave N Shift Values>> N :: 120.67(3.48) 1.L41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.6 R 0.34 G 0.03 C Shift Assignments>> C :: 178.4990 CA :: 57.8190 CB :: 42.3550 CG :: 26.7870 CD1 :: 23.2180 CD2 :: 26.9270 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 :: 8.3220 HA :: 4.2280 HB2 :: 1.6940 HB3 :: 1.3020 HG :: 1.7240 HD11 :: 0.7710 HD12 :: 0.7710 HD13 :: 0.7710 HD21 :: 0.8370 HD22 :: 0.8370 HD23 :: 0.8370 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 :: 119.2310 Ave N Shift Values>> N :: 121.86(3.9) 1.G42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.52 P 0.26 A 0.12 N 0.04 L 0.02 D 0.01 C Shift Assignments>> C :: 174.9810 CA :: 48.0530 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.5480 HA2 :: 3.9540 HA3 :: 3.5210 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.1420 Ave N Shift Values>> N :: 109.67(3.87) 1.K43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.87 R 0.11 G 0.01 C Shift Assignments>> C :: 179.4570 CA :: 59.8500 CB :: 32.2090 CG :: 25.0700 CD :: 29.3500 CE :: 41.9000 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 :: 7.3490 HA :: 3.9960 HB2 :: 2.0030 HB3 :: 2.0030 HG2 :: 1.3600 HG3 :: 1.6280 HD2 :: 1.7600 HD3 :: 1.7600 HE2 :: 2.9700 HE3 :: 2.9700 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 :: 120.8300 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.M80 1.M80 C Shift Assignments>> C :: 177.7980 CA :: 66.2490 CB :: 31.6640 CG1 :: 20.9650 CG2 :: 22.9840 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 :: 7.5870 HA :: 3.6470 HB :: 1.7910 HG11 :: 0.5610 HG12 :: 0.5610 HG13 :: 0.5610 HG21 :: 0.3910 HG22 :: 0.3910 HG23 :: 0.3910 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 :: 119.7940 Ave N Shift Values>> N :: 121.14(4.54) 1.M45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.92 A 0.04 I 0.02 C Shift Assignments>> C :: 179.0220 CA :: 58.1960 CB :: 31.0000 CG :: 33.3600 CE :: 17.6420 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 :: 8.5570 HA :: 4.1660 HB2 :: 1.6240 HB3 :: 1.6240 HG2 :: 2.5360 HG3 :: 2.4360 HE1 :: 1.8210 HE2 :: 1.8210 HE3 :: 1.8210 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 :: 117.2280 Ave N Shift Values>> N :: 120.09(3.57) 1.R46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.68 K 0.16 G 0.14 HN Overlap>> 1.V9 1.V9 C Shift Assignments>> C :: 181.4350 CA :: 59.2720 CB :: 29.8790 CG :: 28.6280 CD :: 43.3030 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 :: 8.1220 HA :: 4.6280 HB2 :: 1.8890 HB3 :: 1.9560 HG2 :: 1.7800 HG3 :: 1.9200 HD2 :: 3.2910 HD3 :: 3.1730 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 :: 118.6340 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.M47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.98 C Shift Assignments>> C :: 177.7260 CA :: 58.9680 CB :: 32.5630 CG :: 31.7080 CE :: 16.7670 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 :: 7.8920 HA :: 4.1920 HB2 :: 2.2760 HB3 :: 2.4010 HG2 :: 2.7600 HG3 :: 2.6170 HE1 :: 2.0210 HE2 :: 2.0210 HE3 :: 2.0210 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 :: 122.6350 Ave N Shift Values>> N :: 120.09(3.57) 1.L48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.89 A 0.06 R 0.04 C Shift Assignments>> C :: 177.2730 CA :: 54.4580 CB :: 41.6190 CG :: 26.5490 CD1 :: 26.1800 CD2 :: 23.1390 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 :: 7.5410 HA :: 4.3900 HB2 :: 1.8500 HB3 :: 1.9420 HG :: 1.8850 HD11 :: 0.8620 HD12 :: 0.8620 HD13 :: 0.8620 HD21 :: 0.8260 HD22 :: 0.8260 HD23 :: 0.8260 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 :: 117.6110 Ave N Shift Values>> N :: 121.86(3.9) 1.G49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.9 L 0.07 C Shift Assignments>> C :: 174.4190 CA :: 45.7540 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.9000 HA2 :: 4.1890 HA3 :: 3.8240 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.7220 Ave N Shift Values>> N :: 109.67(3.87) 1.Q50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.52 Q 0.34 K 0.08 E 0.04 HN Overlap>> 1.L57 1.Q110 1.L57 1.Q110 C Shift Assignments>> C :: 174.1170 CA :: 53.8370 CB :: 31.1220 CG :: 33.6490 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 :: 8.1010 HA :: 4.5020 HB2 :: 2.1400 HB3 :: 1.6470 HG2 :: 2.1870 HG3 :: 2.1870 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 :: 118.1350 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.N51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.69 D 0.18 L 0.04 F 0.03 Y 0.03 C Shift Assignments>> C :: 174.1170 CA :: 51.0380 CB :: 39.1070 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 :: 8.6770 HA :: 5.1560 HB2 :: 2.7730 HB3 :: 2.5260 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 :: 116.7430 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.P52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.0380 CA :: 62.1560 CB :: 32.0870 CG :: 27.7750 CD :: 49.7820 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 :: 4.7600 HB2 :: 2.1750 HB3 :: 1.8950 HG2 :: 1.8770 HG3 :: 1.7860 HD2 :: 3.5910 HD3 :: 3.2710 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.T53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 S 0.01 C Shift Assignments>> C :: 173.5930 CA :: 60.0460 CB :: 68.2400 CG2 :: 22.0500 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 :: 8.8890 HA :: 4.6240 HB :: 4.8060 HG21 :: 1.3840 HG22 :: 1.3840 HG23 :: 1.3840 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 :: 113.8080 Ave N Shift Values>> N :: 115.42(4.75) 1.P54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 179.7010 CA :: 66.1100 CB :: 31.7850 CG :: 28.2700 CD :: 50.3230 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 :: 4.1700 HB2 :: 2.4470 HB3 :: 1.9310 HG2 :: 2.2480 HG3 :: 2.0240 HD2 :: 3.9380 HD3 :: 3.9380 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.E55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.68 E 0.27 K 0.03 C Shift Assignments>> C :: 179.4140 CA :: 60.3500 CB :: 28.7500 CG :: 37.2200 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 :: 8.7800 HA :: 4.0300 HB2 :: 1.9450 HB3 :: 2.0700 HG2 :: 2.4600 HG3 :: 2.2600 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 :: 117.4120 Ave N Shift Values>> N :: 120.67(3.48) 1.E56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.49 I 0.44 M 0.03 K 0.02 HN Overlap>> 1.D65 1.D65 C Shift Assignments>> C :: 179.5170 CA :: 59.2690 CB :: 29.9800 CG :: 37.6400 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 :: 7.7960 HA :: 3.9600 HB2 :: 1.8200 HB3 :: 2.3650 HG2 :: 2.3600 HG3 :: 2.2330 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 :: 121.6060 Ave N Shift Values>> N :: 120.67(3.48) 1.L57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.8 R 0.16 G 0.03 HN Overlap>> 1.Q50 1.Q50 1.Q110 1.Q110 C Shift Assignments>> C :: 178.4340 CA :: 57.6490 CB :: 42.5870 CG :: 26.8000 CD1 :: 25.9360 CD2 :: 23.6750 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 :: 8.1420 HA :: 4.0260 HB2 :: 1.1420 HB3 :: 2.1000 HG :: 1.7200 HD11 :: 0.8660 HD12 :: 0.8660 HD13 :: 0.8660 HD21 :: 0.7260 HD22 :: 0.7260 HD23 :: 0.7260 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 :: 118.2400 Ave N Shift Values>> N :: 121.86(3.9) 1.Q58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.38 Q 0.37 R 0.13 E 0.05 M 0.03 I 0.01 C Shift Assignments>> C :: 177.7300 CA :: 58.2140 CB :: 28.3710 CG :: 33.5230 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 :: 7.9670 HA :: 3.7080 HB2 :: 2.1600 HB3 :: 2.1600 HG2 :: 2.4860 HG3 :: 2.3860 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 :: 117.9340 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.57 I 0.28 K 0.07 Q 0.03 M 0.03 HN Overlap>> 1.A23 1.A23 C Shift Assignments>> C :: 179.0060 CA :: 59.4900 CB :: 29.7090 CG :: 36.5500 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 :: 7.9330 HA :: 4.0600 HB2 :: 2.1900 HB3 :: 2.0500 HG2 :: 2.4600 HG3 :: 2.2760 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 :: 119.1140 Ave N Shift Values>> N :: 120.67(3.48) 1.M60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.98 C Shift Assignments>> C :: 178.7910 CA :: 59.5000 CB :: 33.8500 CG :: 33.2000 CE :: 17.3690 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 :: 7.8140 HA :: 3.9280 HB2 :: 1.9650 HB3 :: 2.2400 HG2 :: 2.7900 HG3 :: 2.2400 HE1 :: 1.8980 HE2 :: 1.8980 HE3 :: 1.8980 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 :: 117.8500 Ave N Shift Values>> N :: 120.09(3.57) 1.I61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 177.8240 CA :: 63.5570 CB :: 36.7900 CG1 :: 28.3520 CG2 :: 15.9000 CD1 :: 11.7990 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 :: 7.5240 HA :: 3.5670 HB :: 2.0700 HG12 :: 1.5350 HG13 :: 1.5350 HG21 :: 0.7300 HG22 :: 0.7300 HG23 :: 0.7300 HD11 :: 0.6790 HD12 :: 0.6790 HD13 :: 0.6790 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 :: 118.5110 Ave N Shift Values>> N :: 121.46(4.28) 1.D62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.31 Y 0.28 L 0.13 D 0.12 I 0.06 K 0.05 N 0.02 C Shift Assignments>> C :: 178.9560 CA :: 57.4360 CB :: 40.3500 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 :: 8.7640 HA :: 4.3190 HB2 :: 2.7790 HB3 :: 2.6700 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 :: 119.5760 Ave N Shift Values>> N :: 120.65(3.86) 1.E63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.66 I 0.14 M 0.09 K 0.05 Q 0.03 C Shift Assignments>> C :: 177.2480 CA :: 58.7000 CB :: 30.3700 CG :: 36.5300 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 :: 7.6640 HA :: 4.0400 HB2 :: 2.2000 HB3 :: 2.0300 HG2 :: 2.4200 HG3 :: 2.2780 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 :: 116.3140 Ave N Shift Values>> N :: 120.67(3.48) 1.V64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.5490 CA :: 60.8790 CB :: 32.7700 CG1 :: 22.2490 CG2 :: 20.7030 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 :: 7.1770 HA :: 4.3960 HB :: 2.2930 HG11 :: 0.7350 HG12 :: 0.7350 HG13 :: 0.7350 HG21 :: 0.8910 HG22 :: 0.8910 HG23 :: 0.8910 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 :: 110.8670 Ave N Shift Values>> N :: 121.14(4.54) 1.D65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.38 N 0.21 L 0.19 F 0.08 Y 0.06 K 0.04 HN Overlap>> 1.E56 1.E56 C Shift Assignments>> C :: 176.3770 CA :: 53.4320 CB :: 40.7530 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 :: 7.7940 HA :: 4.5760 HB2 :: 2.7770 HB3 :: 2.4910 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 :: 121.6230 Ave N Shift Values>> N :: 120.65(3.86) 1.E66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.61 M 0.21 Q 0.07 I 0.05 K 0.04 C Shift Assignments>> C :: 177.2380 CA :: 58.2750 CB :: 30.9660 CG :: 36.0970 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 :: 8.2760 HA :: 4.2000 HB2 :: 2.1890 HB3 :: 2.0800 HG2 :: 2.4030 HG3 :: 2.3110 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 :: 128.4200 Ave N Shift Values>> N :: 120.67(3.48) 1.D67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.37 D 0.36 L 0.13 F 0.06 Y 0.05 K 0.01 C Shift Assignments>> C :: 177.7420 CA :: 52.5090 CB :: 40.3010 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 :: 8.0650 HA :: 4.7200 HB2 :: 2.7480 HB3 :: 3.1410 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 :: 114.7990 Ave N Shift Values>> N :: 120.65(3.86) 1.G68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.05 C Shift Assignments>> C :: 175.3360 CA :: 46.9950 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.7670 HA2 :: 3.9000 HA3 :: 3.8020 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.0270 Ave N Shift Values>> N :: 109.67(3.87) 1.S69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.8880 CA :: 60.1150 CB :: 64.6470 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.5890 HA :: 4.2340 HB2 :: 4.2300 HB3 :: 4.0070 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 :: 117.0200 Ave N Shift Values>> N :: 116.28(3.52) 1.G70 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.88 L 0.08 C Shift Assignments>> C :: 172.5440 CA :: 45.4300 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 10.7480(S) HA2 :: 4.2600 HA3 :: 3.5310 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 116.2870 Ave N Shift Values>> N :: 109.67(3.87) 1.T71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.8 A 0.19 C Shift Assignments>> C :: 173.5260 CA :: 58.1350 CB :: 73.6730 CG2 :: 22.4980 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 :: 7.5970 HA :: 4.9540 HB :: 3.9020 HG21 :: 1.0640 HG22 :: 1.0640 HG23 :: 1.0640 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 :: 107.1010 Ave N Shift Values>> N :: 115.42(4.75) 1.V72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.0600 CA :: 61.5690 CB :: 33.8790 CG1 :: 21.5810 CG2 :: 23.3580 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 :: 9.7670 HA :: 5.0620 HB :: 2.2040 HG11 :: 1.1960 HG12 :: 1.1960 HG13 :: 1.1960 HG21 :: 0.9350 HG22 :: 0.9350 HG23 :: 0.9350 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 :: 127.1760 Ave N Shift Values>> N :: 121.14(4.54) 1.D73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.39 L 0.24 N 0.15 K 0.08 F 0.05 Y 0.03 R 0.03 C Shift Assignments>> C :: 175.8230 CA :: 52.2700 CB :: 41.6540 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 :: 8.8170 HA :: 5.1040 HB2 :: 2.6780 HB3 :: 3.2360 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 :: 129.1610 Ave N Shift Values>> N :: 120.65(3.86) 1.F74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.68 Y 0.31 C Shift Assignments>> C :: 176.2340 CA :: 61.2870 CB :: 38.3720 CD1 :: 132.1700 CE1 :: 130.3000 CZ :: 129.3500 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 :: 8.5490 HA :: 3.3550 HB2 :: 2.4950 HB3 :: 2.1680 HD1 :: 6.7360 HE1 :: 7.1650 HZ :: 7.3700 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 :: 118.1990 Ave N Shift Values>> N :: 120.45(4.18) 1.D75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.33 Y 0.3 L 0.1 D 0.1 I 0.08 K 0.03 N 0.01 C Shift Assignments>> C :: 179.2570 CA :: 57.7400 CB :: 40.2000 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 :: 7.7100 HA :: 3.9630 HB2 :: 2.6830 HB3 :: 2.5230 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 :: 117.8050 Ave N Shift Values>> N :: 120.65(3.86) 1.E76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.66 I 0.16 K 0.07 M 0.06 Q 0.03 HN Overlap>> 1.R83 1.R83 C Shift Assignments>> C :: 179.2150 CA :: 58.2450 CB :: 29.9800 CG :: 36.7610 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 :: 8.3020 HA :: 3.9820 HB2 :: 2.0370 HB3 :: 2.4350 HG2 :: 2.8800 HG3 :: 2.4500 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 :: 120.2250 Ave N Shift Values>> N :: 120.67(3.48) 1.F77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.54 Y 0.45 C Shift Assignments>> C :: 176.5240 CA :: 60.8950 CB :: 39.8300 CD1 :: 131.8000 CE1 :: 131.5800 CZ :: 129.4200 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 :: 8.8390 HA :: 3.8170 HB2 :: 3.3040 HB3 :: 3.0510 HD1 :: 6.9500 HE1 :: 7.3500 HZ :: 7.2600 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 :: 123.1460 Ave N Shift Values>> N :: 120.45(4.18) 1.L78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.97 R 0.01 C Shift Assignments>> C :: 178.5660 CA :: 57.9530 CB :: 41.5280 CG :: 25.7650 CD1 :: 25.7450 CD2 :: 24.4310 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 :: 8.3360 HA :: 3.2820 HB2 :: 1.6080 HB3 :: 1.0970 HG :: 1.0500 HD11 :: 0.5750 HD12 :: 0.5750 HD13 :: 0.5750 HD21 :: 0.6590 HD22 :: 0.6590 HD23 :: 0.6590 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 :: 119.6340 Ave N Shift Values>> N :: 121.86(3.9) 1.V79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 177.4330 CA :: 66.7740 CB :: 31.1550 CG1 :: 21.6300 CG2 :: 23.4210 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 :: 7.2580 HA :: 3.2320 HB :: 2.1300 HG11 :: 0.6570 HG12 :: 0.6570 HG13 :: 0.6570 HG21 :: 0.9800 HG22 :: 0.9800 HG23 :: 0.9800 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 :: 117.6090 Ave N Shift Values>> N :: 121.14(4.54) 1.M80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.98 A 0.01 HN Overlap>> 1.V44 1.V44 C Shift Assignments>> C :: 178.6550 CA :: 59.0130 CB :: 32.4300 CG :: 31.7370 CE :: 17.6300 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 :: 7.5850 HA :: 3.6270 HB2 :: 2.0140 HB3 :: 1.7800 HG2 :: 2.2090 HG3 :: 2.2090 HE1 :: 1.5000 HE2 :: 1.5000 HE3 :: 1.5000 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 :: 119.7570 Ave N Shift Values>> N :: 120.09(3.57) 1.M81 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.81 A 0.18 C Shift Assignments>> C :: 179.3510 CA :: 56.4920 CB :: 31.7200 CG :: 31.7500 CE :: 18.1460 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 :: 8.0420 HA :: 4.0220 HB2 :: 1.0270 HB3 :: 1.4120 HG2 :: 1.1650(S) HG3 :: 1.3750 HE1 :: 1.6150 HE2 :: 1.6150 HE3 :: 1.6150 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 :: 118.8650 Ave N Shift Values>> N :: 120.09(3.57) 1.V82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.M108 1.M108 C Shift Assignments>> C :: 178.9310 CA :: 66.1170 CB :: 31.3140 CG1 :: 21.8070 CG2 :: 22.5710 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 :: 8.2160 HA :: 3.8500 HB :: 2.1290 HG11 :: 0.9590 HG12 :: 0.9590 HG13 :: 0.9590 HG21 :: 1.0580 HG22 :: 1.0580 HG23 :: 1.0580 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 :: 118.9190 Ave N Shift Values>> N :: 121.14(4.54) 1.R83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.74 G 0.21 K 0.03 HN Overlap>> 1.E76 1.E76 C Shift Assignments>> C :: 178.4240 CA :: 59.3300 CB :: 30.0780 CG :: 27.5710 CD :: 43.7180 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 :: 8.2730 HA :: 3.8250 HB2 :: 1.5540 HB3 :: 1.6970 HG2 :: 1.0940 HG3 :: 1.4320 HD2 :: 2.7080 HD3 :: 2.7720 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 :: 120.2470 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.S84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.6630 CA :: 60.5400 CB :: 63.3500 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.7820 HA :: 4.3580 HB2 :: 3.9850 HB3 :: 3.9850 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 :: 113.4880 Ave N Shift Values>> N :: 116.28(3.52) 1.M85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.94 A 0.04 C Shift Assignments>> C :: 176.9960 CA :: 57.4680 CB :: 33.8630 CG :: 32.2920 CE :: 16.9220 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 :: 7.8320 HA :: 4.3500 HB2 :: 2.2500 HB3 :: 2.1640 HG2 :: 2.8460 HG3 :: 2.6420 HE1 :: 2.1260 HE2 :: 2.1260 HE3 :: 2.1260 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 :: 120.1820 Ave N Shift Values>> N :: 120.09(3.57) 1.K86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.8 R 0.18 HN Overlap>> 1.Q16 1.Q16 C Shift Assignments>> C :: 176.5610 CA :: 56.5170 CB :: 32.9440 CG :: 24.7680 CD :: 28.8350 CE :: 41.8390 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 :: 7.8550 HA :: 4.3390 HB2 :: 1.8750 HB3 :: 1.9470 HG2 :: 1.5000 HG3 :: 1.5000 HD2 :: 1.6860 HD3 :: 1.6860 HE2 :: 2.9870 HE3 :: 2.9870 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 :: 119.2570 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.24 K 0.13 F 0.11 Y 0.08 N 0.08 R 0.01 C Shift Assignments>> C :: 176.4130 CA :: 54.8000 CB :: 41.1890 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 :: 8.2280 HA :: 4.6380 HB2 :: 2.7760 HB3 :: 2.7760 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 :: 121.1420 Ave N Shift Values>> N :: 120.65(3.86) 1.D88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.24 K 0.12 F 0.1 N 0.09 Y 0.08 R 0.01 C Shift Assignments>> C :: 177.1100 CA :: 54.4830 CB :: 41.1880 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 :: 8.3710 HA :: 4.6740 HB2 :: 2.7420 HB3 :: 2.7420 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 :: 121.9540 Ave N Shift Values>> N :: 120.65(3.86) 1.S89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.L113 1.L113 C Shift Assignments>> C :: 175.2180 CA :: 59.5300 CB :: 63.5000 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.3480 HA :: 4.3580 HB2 :: 3.9440 HB3 :: 3.9820 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 :: 116.0240 Ave N Shift Values>> N :: 116.28(3.52) 1.K90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.73 R 0.25 G 0.01 C Shift Assignments>> C :: 177.2520 CA :: 56.7820 CB :: 32.4900 CG :: 24.8170 CD :: 29.0710 CE :: 42.2240 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 :: 8.2100 HA :: 4.3280 HB2 :: 1.8410 HB3 :: 1.9170 HG2 :: 1.4870 HG3 :: 1.4870 HD2 :: 1.6900 HD3 :: 1.6900 HE2 :: 3.0140 HE3 :: 3.0140 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 :: 121.4090 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.08 HN Overlap>> 1.G119 1.G119 C Shift Assignments>> C :: 174.3950 CA :: 45.5070 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.2750 HA2 :: 3.9260 HA3 :: 3.9260 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.8320 Ave N Shift Values>> N :: 109.67(3.87) 1.K92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.78 R 0.2 C Shift Assignments>> C :: 176.4210 CA :: 56.6630 CB :: 32.7740 CG :: 24.5830 CD :: 28.8900 CE :: 41.8920 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 :: 8.0700 HA :: 4.1710 HB2 :: 1.6130 HB3 :: 1.6130 HG2 :: 1.2430 HG3 :: 1.1850 HD2 :: 1.5870 HD3 :: 1.5870 HE2 :: 2.9330 HE3 :: 2.9330 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 :: 120.5290 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.5 Y 0.49 C Shift Assignments>> C :: 175.6420 CA :: 57.2020 CB :: 39.4830 CD1 :: 131.9260 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 :: 8.1540 HA :: 4.6600 HB2 :: 3.2070 HB3 :: 2.9650 HD1 :: 7.2490 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 :: 119.2630 Ave N Shift Values>> N :: 120.45(4.18) 1.K94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.79 R 0.19 G 0.01 C Shift Assignments>> C :: 176.3470 CA :: 56.5800 CB :: 33.1520 CG :: 24.8990 CD :: 29.1130 CE :: 42.2120 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 :: 8.4600 HA :: 4.3060 HB2 :: 1.8290 HB3 :: 1.8290 HG2 :: 1.4270 HG3 :: 1.4270 HD2 :: 1.6870 HD3 :: 1.6870 HE2 :: 3.0030 HE3 :: 3.0030 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 :: 122.6560 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.81 G 0.13 K 0.03 L 0.01 C Shift Assignments>> C :: 174.6720 CA :: 54.0040 CB :: 30.2180 CG :: 27.0740 CD :: 43.3520 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 :: 8.2970 HA :: 4.6040 HB2 :: 1.8750 HB3 :: 1.7640 HG2 :: 1.7010 HG3 :: 1.7010 HD2 :: 3.2160 HD3 :: 3.2160 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 :: 122.6170 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.P96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.2020 CA :: 63.7550 CB :: 32.0480 CG :: 27.5030 CD :: 50.6900 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 :: 4.4420 HB2 :: 1.9500 HB3 :: 2.3000 HG2 :: 2.0230 HG3 :: 2.0530 HD2 :: 3.8260 HD3 :: 3.7140 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.T97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.7530 CA :: 62.0440 CB :: 69.6710 CG2 :: 21.8410 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 :: 8.0720 HA :: 4.2830 HB :: 4.2140 HG21 :: 1.2000 HG22 :: 1.2000 HG23 :: 1.2000 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 :: 113.3190 Ave N Shift Values>> N :: 115.42(4.75) 1.L98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.88 R 0.07 A 0.01 G 0.01 C Shift Assignments>> C :: 177.2350 CA :: 55.3430 CB :: 42.2240 CG :: 27.1020 CD1 :: 25.1800 CD2 :: 23.6370 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 :: 8.1730 HA :: 4.3400 HB2 :: 1.5880 HB3 :: 1.6330 HG :: 1.5890 HD11 :: 0.8710 HD12 :: 0.8710 HD13 :: 0.8710 HD21 :: 0.8230 HD22 :: 0.8230 HD23 :: 0.8230 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 :: 123.4180 Ave N Shift Values>> N :: 121.86(3.9) 1.R99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.21 R 0.21 E 0.17 Q 0.16 M 0.12 K 0.09 C Shift Assignments>> CA :: 56.0870 CB :: 30.5500 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 :: 8.2500 HA :: 4.2300 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 :: 120.9230 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.R100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> R 0.78 G 0.11 K 0.09 C Shift Assignments>> C :: 176.4060 CA :: 56.6000 CB :: 30.7430 CG :: 27.2350 CD :: 43.3920 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>> HA :: 4.2500 HB2 :: 1.8550 HB3 :: 1.8550 HG2 :: 1.6400 HG3 :: 1.6400 HD2 :: 3.1900 HD3 :: 3.1900 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) 1.V101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.5250 CA :: 62.1810 CB :: 32.3630 CG1 :: 21.5350 CG2 :: 20.9680 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 :: 7.9380 HA :: 4.0840 HB :: 2.0630 HG11 :: 0.8640 HG12 :: 0.8640 HG13 :: 0.8640 HG21 :: 0.9000 HG22 :: 0.9000 HG23 :: 0.9000 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 :: 119.8130 Ave N Shift Values>> N :: 121.14(4.54) 1.R102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.79 K 0.11 G 0.09 C Shift Assignments>> CA :: 55.7400 CB :: 31.0500 CG :: 27.1400 CD :: 43.2600 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 :: 8.3500 HA :: 4.3860 HB2 :: 1.8370 HB3 :: 1.7350 HG2 :: 1.5700 HG3 :: 1.5700 HD2 :: 3.1600 HD3 :: 3.1880 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 :: 124.4280 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.I103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> I 0.99 C Shift Assignments>> CA :: 60.1960 CB :: 39.9250 CG1 :: 27.8110 CG2 :: 17.4570 CD1 :: 13.6270 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>> HA :: 4.2600 HB :: 1.7530 HG12 :: 1.4810 HG13 :: 1.1240 HG21 :: 0.8700 HG22 :: 0.8700 HG23 :: 0.8700 HD11 :: 0.8200 HD12 :: 0.8200 HD13 :: 0.8200 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) 1.S104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 175.0120 CA :: 56.8800 CB :: 64.3290 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 4.6700 HB2 :: 4.1600 HB3 :: 3.9670 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.A105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.55 A 0.36 I 0.05 V 0.01 C Shift Assignments>> C :: 179.1960 CA :: 55.6970 CB :: 18.5370 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.8330 HA :: 3.9980 HB1 :: 1.4720 HB2 :: 1.4720 HB3 :: 1.4720 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 127.2420 Ave N Shift Values>> N :: 123.23(3.54) 1.D106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.27 Y 0.23 L 0.16 D 0.13 K 0.11 I 0.04 N 0.02 C Shift Assignments>> C :: 178.3280 CA :: 57.2830 CB :: 40.7470 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 :: 8.4780 HA :: 4.3450 HB2 :: 2.6370 HB3 :: 2.6370 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 :: 115.9960 Ave N Shift Values>> N :: 120.65(3.86) 1.A107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.51 M 0.45 I 0.02 C Shift Assignments>> C :: 181.0000 CA :: 54.7700 CB :: 18.3910 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.8420 HA :: 4.1310 HB1 :: 1.5330 HB2 :: 1.5330 HB3 :: 1.5330 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.7400 Ave N Shift Values>> N :: 123.23(3.54) 1.M108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.98 HN Overlap>> 1.V82 1.V82 C Shift Assignments>> C :: 177.4800 CA :: 59.4740 CB :: 32.7360 CG :: 31.8980 CE :: 17.6320 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 :: 8.2200 HA :: 3.9890 HB2 :: 2.2140 HB3 :: 2.2140 HG2 :: 2.4320 HG3 :: 2.4320 HE1 :: 2.0520 HE2 :: 2.0520 HE3 :: 2.0520 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 :: 119.0240 Ave N Shift Values>> N :: 120.09(3.57) 1.M109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.93 A 0.06 C Shift Assignments>> C :: 178.9400 CA :: 57.6920 CB :: 31.4500 CG :: 32.8120 CE :: 17.6570 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 :: 8.4320 HA :: 4.3670 HB2 :: 2.3150 HB3 :: 2.0310 HG2 :: 2.7600 HG3 :: 2.7600 HE1 :: 1.9810 HE2 :: 1.9810 HE3 :: 1.9810 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 :: 117.8980 Ave N Shift Values>> N :: 120.09(3.57) 1.Q110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.37 K 0.36 R 0.1 E 0.09 I 0.04 M 0.02 HN Overlap>> 1.Q50 1.L57 1.Q50 1.L57 C Shift Assignments>> C :: 178.9620 CA :: 58.7630 CB :: 28.3160 CG :: 33.8930 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 :: 8.1550 HA :: 4.0050 HB2 :: 2.1210 HB3 :: 2.1210 HG2 :: 2.4750 HG3 :: 2.3940 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 :: 118.1510 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.54 M 0.42 I 0.02 C Shift Assignments>> C :: 179.7110 CA :: 54.7250 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 :: 7.8890 HA :: 4.1560 HB1 :: 1.4910 HB2 :: 1.4910 HB3 :: 1.4910 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.3820 Ave N Shift Values>> N :: 123.23(3.54) 1.L112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.69 R 0.25 G 0.03 A 0.01 C Shift Assignments>> C :: 178.2800 CA :: 57.1210 CB :: 42.7050 CG :: 27.1870 CD1 :: 26.1380 CD2 :: 22.8530 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 :: 8.0750 HA :: 4.1760 HB2 :: 1.9100 HB3 :: 1.5320 HG :: 1.8400 HD11 :: 0.9040 HD12 :: 0.9040 HD13 :: 0.9040 HD21 :: 0.6900 HD22 :: 0.6900 HD23 :: 0.6900 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 :: 116.6000 Ave N Shift Values>> N :: 121.86(3.9) 1.L113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.71 R 0.2 A 0.04 G 0.02 HN Overlap>> 1.S89 1.S89 C Shift Assignments>> C :: 179.3050 CA :: 55.6390 CB :: 42.4900 CG :: 27.4080 CD1 :: 25.8960 CD2 :: 22.6850 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 :: 8.2780 HA :: 4.3340 HB2 :: 1.8820 HB3 :: 1.5170 HG :: 1.7510 HD11 :: 0.9650 HD12 :: 0.9650 HD13 :: 0.9650 HD21 :: 0.8420 HD22 :: 0.8420 HD23 :: 0.8420 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 :: 116.0350 Ave N Shift Values>> N :: 121.86(3.9) 1.G114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.91 L 0.07 C Shift Assignments>> C :: 174.8740 CA :: 46.0140 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.8960 HA2 :: 3.9570 HA3 :: 3.9930 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.4950 Ave N Shift Values>> N :: 109.67(3.87) 1.A115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.79 M 0.2 C Shift Assignments>> C :: 178.4340 CA :: 53.2110 CB :: 18.7050 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.1140 HA :: 4.2390 HB1 :: 1.4240 HB2 :: 1.4240 HB3 :: 1.4240 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.8060 Ave N Shift Values>> N :: 123.23(3.54) 1.R116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.8 K 0.09 G 0.09 C Shift Assignments>> C :: 176.6560 CA :: 56.5910 CB :: 30.5500 CG :: 27.0400 CD :: 43.2240 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 :: 7.9790 HA :: 4.2770 HB2 :: 1.9000 HB3 :: 1.8000 HG2 :: 1.6700 HG3 :: 1.6700 HD2 :: 3.1700 HD3 :: 3.1700 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 :: 118.2000 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.A117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.86 M 0.13 HN Overlap>> 1.E19 1.K39 1.E19 1.K39 C Shift Assignments>> C :: 177.8400 CA :: 52.6600 CB :: 18.9560 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.0370 HA :: 4.2600 HB1 :: 1.3840 HB2 :: 1.3840 HB3 :: 1.3840 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.4660 Ave N Shift Values>> N :: 123.23(3.54) 1.K118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.76 R 0.22 G 0.01 C Shift Assignments>> C :: 177.3210 CA :: 56.5730 CB :: 32.9340 CG :: 24.9080 CD :: 29.0440 CE :: 42.2130 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 :: 8.2240 HA :: 4.2430 HB2 :: 1.8100 HB3 :: 1.7440 HG2 :: 1.4700 HG3 :: 1.4700 HD2 :: 1.6750 HD3 :: 1.6750 HE2 :: 2.9970 HE3 :: 2.9970 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 :: 119.9150 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.1 R 0.01 F 0.01 HN Overlap>> 1.G91 1.G91 C Shift Assignments>> CA :: 45.2800 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.3300 HA2 :: 3.9000 HA3 :: 3.9000 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.9020 Ave N Shift Values>> N :: 109.67(3.87) 1.H120 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.9XG1 Overall Status: Residue type 9XG not supported. ########################################################################### Overall Results: #Consistent: 116 #Clerical: 0 #Suspicious: 4 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 119 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 1 Shift Relative Order (SRO) Results: #Consistent: 120 #Suspicious: 0 C Shift Results: #Consistent: 505 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 801 #Duplicate: 0 #Unknown: 0 #Suspicious: 3 #Anomalous: 0 N Shift Results: #Consistent: 110 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 Error Summary: 1.K21 HD3 = 0.4600(S), Expected = 1.60, Std = 0.2200, ChiSquare = 2.1973e-07 1.V28 N = 105.6840(S), Expected = 121.14, Std = 4.5400, ChiSquare = 6.6308e-04 1.G70 H = 10.7480(S), Expected = 8.33, Std = 0.6500, ChiSquare = 1.9922e-04 1.M81 HG2 = 1.1650(S), Expected = 2.42, Std = 0.3500, ChiSquare = 3.3616e-04