Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.S1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 174.8586 CA :: 58.2900 CB :: 64.0700 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 4.4420 HB2 :: 3.8480 HB3 :: 3.8480 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.D2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.23 K 0.12 F 0.09 N 0.09 Y 0.07 C 0.05 R 0.01 C Shift Assignments>> C :: 176.9083 CA :: 54.4000 CB :: 41.2700 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 :: 8.6330 HA :: 4.7950 HB2 :: 2.8630 HB3 :: 2.7110 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 :: 122.8630 Ave N Shift Values>> N :: 120.65(3.86) 1.V3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.87 C 0.12 C Shift Assignments>> C :: 176.7032 CA :: 65.0700 CB :: 32.0500 CG1 :: 21.2100 CG2 :: 20.9200 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 :: 8.1800 HA :: 3.9600 HB :: 1.9750 HG11 :: 0.8000 HG12 :: 0.8000 HG13 :: 0.8000 HG21 :: 0.7000 HG22 :: 0.7000 HG23 :: 0.7000 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.2080 Ave N Shift Values>> N :: 121.14(4.54) 1.Y4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.53 C 0.46 HN Overlap>> 1.E14 1.E14 C Shift Assignments>> C :: 177.5865 CA :: 61.3800 CB :: 37.0500 CD1 :: 131.8900 CD2 :: 131.8900 CE1 :: 118.4000 CE2 :: 118.4000 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 :: 8.0060 HA :: 4.1350 HB2 :: 3.2150 HB3 :: 2.9370 HD1 :: 7.0900 HD2 :: 7.0900 HE1 :: 6.9300 HE2 :: 6.9300 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 118.5810 Ave N Shift Values>> N :: 120.52(4.2) 1.C5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.26 C 0.22 F 0.2 I 0.14 E 0.09 M 0.01 D 0.01 N 0.01 C Shift Assignments>> C :: 175.8801 CA :: 58.3200 CB :: 37.8800 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.8520 HA :: 4.2780 HB2 :: 3.8940 HB3 :: 2.9840 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 :: 117.8300 Ave N Shift Values>> N :: 120.17(4.64) 1.E6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.31 I 0.2 K 0.06 Q 0.03 M 0.01 C Shift Assignments>> C :: 180.7923 CA :: 59.8700 CB :: 29.3800 CG :: 36.2250 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 :: 8.1520 HA :: 4.0260 HB2 :: 2.0680 HB3 :: 2.0680 HG2 :: 2.3050 HG3 :: 2.1660 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 :: 119.0660 Ave N Shift Values>> N :: 120.67(3.48) 1.V7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.88 C 0.11 C Shift Assignments>> C :: 176.8347 CA :: 66.4100 CB :: 31.5400 CG1 :: 22.7510 CG2 :: 22.7510 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 :: 8.5750 HA :: 3.8180 HB :: 2.1140 HG11 :: 1.0120 HG12 :: 1.0120 HG13 :: 1.0120 HG21 :: 1.0120 HG22 :: 1.0120 HG23 :: 1.0120 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 116.4360 Ave N Shift Values>> N :: 121.14(4.54) 1.C8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.29 F 0.2 C 0.19 Y 0.13 K 0.06 R 0.05 G 0.04 C Shift Assignments>> C :: 175.3040 CA :: 62.5000 CB :: 42.3500 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.3620 HA :: 3.9100 HB2 :: 3.4970 HB3 :: 3.1210 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 120.6690 Ave N Shift Values>> N :: 120.17(4.64) 1.E9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.32 I 0.21 K 0.05 Q 0.02 M 0.01 C Shift Assignments>> C :: 179.9424 CA :: 59.7200 CB :: 29.3900 CG :: 36.4480 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 :: 8.7980 HA :: 4.0680 HB2 :: 2.0340 HB3 :: 2.0340 HG2 :: 2.5020 HG3 :: 2.3480 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 :: 119.1400 Ave N Shift Values>> N :: 120.67(3.48) 1.F10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.66 C 0.33 C Shift Assignments>> C :: 176.6680 CA :: 60.9800 CB :: 38.7900 CD1 :: 132.2100 CD2 :: 132.2100 CE1 :: 131.1500 CE2 :: 131.1500 CZ :: 130.1900 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 :: 7.8170 HA :: 4.3630 HB2 :: 3.4000 HB3 :: 3.4000 HD1 :: 7.2500 HD2 :: 7.2500 HE1 :: 7.1300 HE2 :: 7.1300 HZ :: 7.2750 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 120.5600 Ave N Shift Values>> N :: 120.45(4.18) 1.L11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 L 0.36 R 0.21 G 0.02 C Shift Assignments>> C :: 179.1162 CA :: 57.8200 CB :: 42.6100 CG :: 27.1700 CD1 :: 27.0100 CD2 :: 23.2800 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 :: 8.4980 HA :: 3.7290 HB2 :: 2.1500 HB3 :: 1.2790 HG :: 2.1700 HD11 :: 0.8100 HD12 :: 0.8100 HD13 :: 0.8100 HD21 :: 0.9000 HD22 :: 0.9000 HD23 :: 0.9000 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 :: 120.4900 Ave N Shift Values>> N :: 121.86(3.9) 1.V12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.69 C 0.3 C Shift Assignments>> C :: 178.8788 CA :: 67.5500 CB :: 31.9400 CG1 :: 24.8200 CG2 :: 22.1090 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 :: 8.7970 HA :: 3.3530 HB :: 2.1890 HG11 :: 1.1870 HG12 :: 1.1870 HG13 :: 1.1870 HG21 :: 1.0190 HG22 :: 1.0190 HG23 :: 1.0190 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 :: 118.3800 Ave N Shift Values>> N :: 121.14(4.54) 1.K13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 K 0.41 R 0.11 C Shift Assignments>> C :: 179.5324 CA :: 59.7900 CB :: 32.0500 CG :: 25.4860 CD :: 28.7500 CE :: 42.0000 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 :: 7.6520 HA :: 3.9800 HB2 :: 1.9800 HB3 :: 1.8800 HG2 :: 1.6100 HG3 :: 1.4200 HD2 :: 1.7000 HD3 :: 1.7000 HE2 :: 2.9800 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 :: 120.0500 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 E 0.38 I 0.1 K 0.05 M 0.03 Q 0.03 HN Overlap>> 1.Y4 1.Y4 C Shift Assignments>> C :: 179.8473 CA :: 58.8600 CB :: 29.9300 CG :: 36.3750 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 :: 8.0180 HA :: 3.7700 HB2 :: 1.9510 HB3 :: 1.9510 HG2 :: 1.6470 HG3 :: 1.6470 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 :: 118.6700 Ave N Shift Values>> N :: 120.67(3.48) 1.V15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.62 V 0.37 C Shift Assignments>> C :: 178.0804 CA :: 67.3000 CB :: 31.0200 CG1 :: 24.1400 CG2 :: 24.6600 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 :: 8.8840 HA :: 3.4160 HB :: 2.0000 HG11 :: 0.9230 HG12 :: 0.9230 HG13 :: 0.9230 HG21 :: 0.9230 HG22 :: 0.9230 HG23 :: 0.9230 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.0700 Ave N Shift Values>> N :: 121.14(4.54) 1.T16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 C 0.02 C Shift Assignments>> C :: 176.0020 CA :: 67.36 CB :: 68.61 CG2 :: 21.9200 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 :: 8.4850 HA :: 4.2560 HB :: 3.8110 HG21 :: 1.2900 HG22 :: 1.2900 HG23 :: 1.2900 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 :: 114.7000 Ave N Shift Values>> N :: 115.42(4.75) 1.K17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 K 0.45 R 0.06 C Shift Assignments>> C :: 179.0115 CA :: 59.5500 CB :: 32.2400 CG :: 25.0630 CD :: 29.5020 CE :: 41.9210 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 :: 7.3010 HA :: 4.0590 HB2 :: 1.8380 HB3 :: 1.8380 HG2 :: 1.5900 HG3 :: 1.3920 HD2 :: 1.6080 HD3 :: 1.6080 HE2 :: 2.8450 HE3 :: 2.8450 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 :: 119.4300 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.7 L 0.2 R 0.07 A 0.01 C Shift Assignments>> C :: 179.4366 CA :: 57.9500 CB :: 41.2600 CG :: 26.8300 CD1 :: 22.3300 CD2 :: 27.2800 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 :: 7.2610 HA :: 4.0010 HB2 :: 1.9820 HB3 :: 1.1170 HG :: 1.8600 HD11 :: 0.7350 HD12 :: 0.7350 HD13 :: 0.7350 HD21 :: 0.7350 HD22 :: 0.7350 HD23 :: 0.7350 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 :: 118.1800 Ave N Shift Values>> N :: 121.86(3.9) 1.I19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.86 C 0.13 HN Overlap>> 1.S67 1.S67 C Shift Assignments>> C :: 181.0975 CA :: 65.9600 CB :: 38.1200 CG1 :: 29.4000 CG2 :: 16.7400 CD1 :: 15.2300 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 :: 8.3740 HA :: 3.6340 HB :: 1.8930 HG12 :: 1.7300 HG13 :: 0.7940 HG21 :: 0.9200 HG22 :: 0.9200 HG23 :: 0.9200 HD11 :: 0.7500 HD12 :: 0.7500 HD13 :: 0.7500 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 :: 122.2200 Ave N Shift Values>> N :: 121.46(4.28) 1.D20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.24 Y 0.21 D 0.15 L 0.14 C 0.1 K 0.04 N 0.04 I 0.03 C Shift Assignments>> C :: 176.8032 CA :: 56.7500 CB :: 40.3400 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 :: 8.5940 HA :: 4.4410 HB2 :: 2.7800 HB3 :: 2.6600 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 :: 121.7500 Ave N Shift Values>> N :: 120.65(3.86) 1.N21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.49 D 0.22 C 0.07 F 0.06 L 0.06 Y 0.06 C Shift Assignments>> C :: 173.8732 CA :: 52.9200 CB :: 39.2300 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 :: 7.4020 HA :: 4.8370 HB2 :: 2.9570 HB3 :: 2.6520 HD21 :: 7.5900 HD22 :: 6.9400 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 :: 116.0100 ND2 :: 111.4100 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.N22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.26 C 0.21 E 0.17 Y 0.1 M 0.09 F 0.07 D 0.02 K 0.02 I 0.01 C Shift Assignments>> C :: 175.0156 CA :: 54.5800 CB :: 36.9100 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 :: 8.2210 HA :: 4.4650 HB2 :: 3.0600 HB3 :: 2.8380 HD21 :: 7.5900 HD22 :: 6.8900 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 :: 112.9800 ND2 :: 112.2600 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.38 K 0.32 C 0.27 G 0.02 C Shift Assignments>> C :: 176.6352 CA :: 54.7000 CB :: 31.5800 CG :: 24.9960 CD :: 27.8850 CE :: 42.6250 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 :: 7.6200 HA :: 4.5100 HB2 :: 1.6710 HB3 :: 1.4750 HG2 :: 1.4300 HG3 :: 1.4300 HD2 :: 1.6100 HD3 :: 1.4800 HE2 :: 2.9000 HE3 :: 2.8500 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 :: 116.7100 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.79 C 0.2 C Shift Assignments>> C :: 174.9594 CA :: 60.6100 CB :: 71.5100 CG2 :: 21.9150 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 :: 8.9350 HA :: 4.3200 HB :: 4.6740 HG21 :: 1.3440 HG22 :: 1.3440 HG23 :: 1.3440 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 :: 111.8800 Ave N Shift Values>> N :: 115.42(4.75) 1.E25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 E 0.27 I 0.24 K 0.03 M 0.01 Q 0.01 C Shift Assignments>> C :: 177.4261 CA :: 60.6700 CB :: 29.8500 CG :: 36.4320 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 :: 8.8190 HA :: 3.7470 HB2 :: 2.0520 HB3 :: 2.0520 HG2 :: 2.2200 HG3 :: 2.1200 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 :: 119.7200 Ave N Shift Values>> N :: 120.67(3.48) 1.K26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 K 0.37 R 0.19 G 0.01 C Shift Assignments>> C :: 178.4772 CA :: 59.2500 CB :: 32.4500 CG :: 24.8980 CD :: 28.4610 CE :: 42.5000 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 :: 8.1250 HA :: 3.9100 HB2 :: 1.8400 HB3 :: 1.7100 HG2 :: 1.4300 HG3 :: 1.4300 HD2 :: 1.6000 HD3 :: 1.6000 HE2 :: 2.9800 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 :: 116.2300 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 E 0.21 I 0.18 M 0.02 C Shift Assignments>> C :: 180.0317 CA :: 59.0200 CB :: 30.4100 CG :: 38.0310 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 :: 7.4830 HA :: 3.9940 HB2 :: 2.3870 HB3 :: 1.8500 HG2 :: 2.3600 HG3 :: 2.2300 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 :: 117.3300 Ave N Shift Values>> N :: 120.67(3.48) 1.I28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.84 C 0.15 C Shift Assignments>> C :: 176.7551 CA :: 66.0100 CB :: 37.0100 CG1 :: 29.7500 CG2 :: 18.6770 CD1 :: 14.1126 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 :: 8.3400 HA :: 3.3590 HB :: 1.7440 HG12 :: 1.7430 HG13 :: 0.6080 HG21 :: 0.5700 HG22 :: 0.5700 HG23 :: 0.5700 HD11 :: 0.5720 HD12 :: 0.5720 HD13 :: 0.5720 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 121.9200 Ave N Shift Values>> N :: 121.46(4.28) 1.L29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 L 0.46 R 0.01 C Shift Assignments>> C :: 181.1355 CA :: 58.0700 CB :: 41.2000 CG :: 26.9800 CD1 :: 22.9400 CD2 :: 25.4700 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 :: 3.8330 HB2 :: 1.8390 HB3 :: 1.4890 HG :: 1.7400 HD11 :: 0.8800 HD12 :: 0.8800 HD13 :: 0.8800 HD21 :: 0.8800 HD22 :: 0.8800 HD23 :: 0.8800 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 :: 119.1200 Ave N Shift Values>> N :: 121.86(3.9) 1.D30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.22 Y 0.18 D 0.17 L 0.16 C 0.09 K 0.08 N 0.03 I 0.02 C Shift Assignments>> C :: 177.8028 CA :: 56.6300 CB :: 40.6600 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 :: 7.9830 HA :: 4.4400 HB2 :: 2.6730 HB3 :: 2.6730 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 :: 117.9100 Ave N Shift Values>> N :: 120.65(3.86) 1.A31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.73 M 0.23 C 0.01 C Shift Assignments>> C :: 180.4317 CA :: 53.5800 CB :: 18.6800 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.7180 HA :: 4.2620 HB1 :: 1.4410 HB2 :: 1.4410 HB3 :: 1.4410 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.7700 Ave N Shift Values>> N :: 123.23(3.54) 1.F32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.64 C 0.35 C Shift Assignments>> C :: 178.0746 CA :: 60.1100 CB :: 38.4000 CD1 :: 131.3440 CD2 :: 131.3440 CE1 :: 131.0600 CE2 :: 131.0600 CZ :: 129.8570 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 :: 7.9230 HA :: 4.6090 HB2 :: 3.3370 HB3 :: 3.3370 HD1 :: 7.4500 HD2 :: 7.4500 HE1 :: 7.0140 HE2 :: 7.0140 HZ :: 7.0160 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 :: 119.5600 Ave N Shift Values>> N :: 120.45(4.18) 1.D33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.24 Y 0.2 L 0.14 D 0.13 C 0.1 K 0.08 I 0.04 N 0.02 C Shift Assignments>> C :: 177.4035 CA :: 57.1000 CB :: 40.6600 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 :: 8.0000 HA :: 4.5460 HB2 :: 2.8800 HB3 :: 2.7900 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 116.7600 Ave N Shift Values>> N :: 120.65(3.86) 1.K34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.5 C 0.38 R 0.1 C Shift Assignments>> C :: 178.7461 CA :: 55.8500 CB :: 33.4200 CG :: 24.9220 CD :: 28.8450 CE :: 42.0100 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 :: 7.5680 HA :: 4.6770 HB2 :: 2.0750 HB3 :: 1.7750 HG2 :: 1.4900 HG3 :: 1.4900 HD2 :: 1.6700 HD3 :: 1.6700 HE2 :: 3.0000 HE3 :: 3.0000 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 :: 115.5400 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.M35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.68 M 0.3 C Shift Assignments>> C :: 177.8878 CA :: 60.1900 CB :: 33.5800 CG :: 33.0480 CE :: 17.5000 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 :: 7.7230 HA :: 4.1280 HB2 :: 2.3690 HB3 :: 1.9850 HG2 :: 2.6000 HG3 :: 2.7100 HE1 :: 1.6600 HE2 :: 1.6600 HE3 :: 1.6600 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 :: 121.2800 Ave N Shift Values>> N :: 120.09(3.57) 1.C36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.25 C 0.21 F 0.19 E 0.09 N 0.06 I 0.06 D 0.04 M 0.02 L 0.02 C Shift Assignments>> C :: 176.9419 CA :: 56.8400 CB :: 38.0000 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.7970 HA :: 4.5390 HB2 :: 3.0230 HB3 :: 3.0230 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 :: 113.5700 Ave N Shift Values>> N :: 120.17(4.64) 1.S37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.6357 CA :: 60.6300 CB :: 63.1800 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.0160 HA :: 4.3530 HB2 :: 4.0280 HB3 :: 4.0280 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.2300 Ave N Shift Values>> N :: 116.28(3.52) 1.K38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.42 C 0.39 R 0.17 C Shift Assignments>> C :: 176.8346 CA :: 56.9800 CB :: 32.9200 CG :: 25.6970 CD :: 29.4950 CE :: 41.9460 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 :: 7.5740 HA :: 4.2820 HB2 :: 2.0830 HB3 :: 2.0830 HG2 :: 1.7100 HG3 :: 1.5200 HD2 :: 1.7840 HD3 :: 1.7840 HE2 :: 3.0270 HE3 :: 3.0270 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 :: 118.8900 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.4 L 0.27 C 0.23 R 0.07 G 0.01 C Shift Assignments>> CA :: 52.5400 CB :: 41.8600 CG :: 27.1640 CD1 :: 21.9340 CD2 :: 26.6100 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 :: 7.1960 HA :: 4.3610 HB2 :: 1.5400 HB3 :: 1.1900 HG :: 0.8240 HD11 :: 0.1140 HD12 :: 0.1140 HD13 :: 0.1140 HD21 :: 0.6330 HD22 :: 0.6330 HD23 :: 0.6330 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 :: 119.9400 Ave N Shift Values>> N :: 121.86(3.9) 1.P40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.7 C 0.29 C Shift Assignments>> C :: 177.7148 CA :: 62.7400 CB :: 32.2600 CG :: 27.6890 CD :: 50.4700 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 :: 4.3990 HB2 :: 2.3690 HB3 :: 1.8560 HG2 :: 1.9610 HG3 :: 1.9610 HD2 :: 3.6500 HD3 :: 3.3000 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.K41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 K 0.43 R 0.11 C Shift Assignments>> C :: 178.5020 CA :: 58.7700 CB :: 32.0000 CG :: 24.6600 CD :: 28.8060 CE :: 41.8140 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 :: 8.6850 HA :: 4.1270 HB2 :: 1.8800 HB3 :: 1.8800 HG2 :: 1.5410 HG3 :: 1.5410 HD2 :: 1.7220 HD3 :: 1.7220 HE2 :: 3.0080 HE3 :: 3.0080 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 :: 123.1500 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.0113 CA :: 60.2800 CB :: 62.3100 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.0910 HA :: 4.2360 HB2 :: 3.9180 HB3 :: 3.9180 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 112.2400 Ave N Shift Values>> N :: 116.28(3.52) 1.L43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.47 G 0.23 C 0.21 R 0.06 A 0.01 C Shift Assignments>> C :: 177.2635 CA :: 54.7400 CB :: 44.2600 CG :: 27.1300 CD1 :: 25.9300 CD2 :: 23.6800 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 :: 7.6270 HA :: 4.7890 HB2 :: 1.5460 HB3 :: 1.5460 HG :: 1.4300 HD11 :: 0.7810 HD12 :: 0.7810 HD13 :: 0.7810 HD21 :: 0.7660 HD22 :: 0.7660 HD23 :: 0.7660 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 :: 120.7000 Ave N Shift Values>> N :: 121.86(3.9) 1.S44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.0976 CA :: 63.0590 CB :: 63.2590 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.7660 HA :: 3.9250 HB2 :: 3.9957 HB3 :: 3.9957 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.2000 Ave N Shift Values>> N :: 116.28(3.52) 1.E45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 I 0.29 E 0.27 K 0.04 Q 0.01 C Shift Assignments>> C :: 179.4469 CA :: 59.8500 CB :: 28.9500 CG :: 36.6900 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 :: 8.7790 HA :: 4.0900 HB2 :: 2.0210 HB3 :: 2.0210 HG2 :: 2.3800 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 :: 122.9200 Ave N Shift Values>> N :: 120.67(3.48) 1.E46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.47 C 0.35 E 0.14 K 0.01 C Shift Assignments>> C :: 178.2474 CA :: 60.7000 CB :: 28.5500 CG :: 37.1410 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 :: 9.2280 HA :: 4.1730 HB2 :: 1.9690 HB3 :: 1.4990 HG2 :: 2.2030 HG3 :: 2.2030 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 :: 121.5400 Ave N Shift Values>> N :: 120.67(3.48) 1.C47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.37 C 0.22 Y 0.19 F 0.14 E 0.04 C Shift Assignments>> C :: 175.2959 CA :: 60.7100 CB :: 37.7900 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.5200 HA :: 4.2030 HB2 :: 3.4000 HB3 :: 2.8040 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 :: 116.6400 Ave N Shift Values>> N :: 120.17(4.64) 1.Q48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 Q 0.26 K 0.25 R 0.08 E 0.04 M 0.02 I 0.01 C Shift Assignments>> C :: 177.6216 CA :: 58.2900 CB :: 28.3200 CG :: 33.6670 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 :: 8.1280 HA :: 3.8070 HB2 :: 2.1990 HB3 :: 2.1990 HG2 :: 2.5170 HG3 :: 2.4110 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.4600 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.34 I 0.11 K 0.08 Q 0.05 M 0.02 HN Overlap>> 1.L70 1.L70 C Shift Assignments>> C :: 179.7585 CA :: 59.3800 CB :: 29.7000 CG :: 35.9030 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 :: 7.9180 HA :: 4.2030 HB2 :: 2.3890 HB3 :: 2.2460 HG2 :: 2.5090 HG3 :: 2.2980 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 :: 118.2800 Ave N Shift Values>> N :: 120.67(3.48) 1.V50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.8 C 0.19 C Shift Assignments>> C :: 178.5168 CA :: 67.0100 CB :: 31.2000 CG1 :: 23.9500 CG2 :: 22.4480 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 :: 8.1440 HA :: 3.8200 HB :: 2.2110 HG11 :: 1.1190 HG12 :: 1.1190 HG13 :: 1.1190 HG21 :: 0.7640 HG22 :: 0.7640 HG23 :: 0.7640 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 :: 119.9700 Ave N Shift Values>> N :: 121.14(4.54) 1.V51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.7 C 0.29 C Shift Assignments>> C :: 178.8683 CA :: 68.0200 CB :: 31.6200 CG1 :: 24.9020 CG2 :: 21.6040 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 :: 8.8810 HA :: 3.0050 HB :: 2.1240 HG11 :: 1.0120 HG12 :: 1.0120 HG13 :: 1.0120 HG21 :: 0.7500 HG22 :: 0.7500 HG23 :: 0.7500 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 :: 122.0600 Ave N Shift Values>> N :: 121.14(4.54) 1.D52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.27 Y 0.24 L 0.12 C 0.11 D 0.1 K 0.06 I 0.05 N 0.01 C Shift Assignments>> C :: 178.2570 CA :: 57.5200 CB :: 40.4800 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 :: 8.7220 HA :: 4.3380 HB2 :: 2.8190 HB3 :: 2.6500 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 :: 119.9500 Ave N Shift Values>> N :: 120.65(3.86) 1.T53 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 :: 175.7413 CA :: 65.3600 CB :: 69.7000 CG2 :: 21.1870 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 :: 7.9900 HA :: 3.9960 HB :: 3.7410 HG21 :: 0.4400 HG22 :: 0.4400 HG23 :: 0.4400 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 :: 112.8700 Ave N Shift Values>> N :: 115.42(4.75) 1.Y54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.66 C 0.33 C Shift Assignments>> C :: 176.4332 CA :: 58.9600 CB :: 39.8100 CD1 :: 133.4680 CD2 :: 133.4680 CE1 :: 118.6810 CE2 :: 118.6810 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 :: 8.9230 HA :: 4.7530 HB2 :: 3.1780 HB3 :: 2.7610 HD1 :: 7.2090 HD2 :: 7.2090 HE1 :: 6.8860 HE2 :: 6.8860 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 :: 116.7200 Ave N Shift Values>> N :: 120.52(4.2) 1.G55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.69 A 0.14 N 0.06 G 0.02 C 0.02 D 0.01 C Shift Assignments>> C :: 174.6329 CA :: 48.9700 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.3200 HA2 :: 3.5140 HA3 :: 3.2170 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.1700 Ave N Shift Values>> N :: 109.67(3.87) 1.S56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.0486 CA :: 62.1200 CB :: 62.1200 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.7510 HA :: 4.1800 HB2 :: 3.9800 HB3 :: 3.9100 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 :: 114.4200 Ave N Shift Values>> N :: 116.28(3.52) 1.S57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.1368 CA :: 62.2520 CB :: 63.1200 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.7750 HA :: 4.4750 HB2 :: 4.1970 HB3 :: 3.9830 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 120.1600 Ave N Shift Values>> N :: 116.28(3.52) 1.I58 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 :: 176.7285 CA :: 66.3900 CB :: 38.6600 CG1 :: 30.1170 CG2 :: 17.1960 CD1 :: 13.9920 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 :: 8.5830 HA :: 3.3810 HB :: 2.1220 HG12 :: 1.7370 HG13 :: 0.6590 HG21 :: 0.8700 HG22 :: 0.8700 HG23 :: 0.8700 HD11 :: 0.6770 HD12 :: 0.6770 HD13 :: 0.6770 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 :: 122.2600 Ave N Shift Values>> N :: 121.46(4.28) 1.L59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.45 C 0.41 R 0.1 G 0.01 C Shift Assignments>> C :: 177.1132 CA :: 58.4400 CB :: 42.3500 CG :: 26.7100 CD1 :: 26.4900 CD2 :: 24.1400 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 :: 7.8770 HA :: 4.0890 HB2 :: 2.1900 HB3 :: 1.5060 HG :: 1.7000 HD11 :: 0.9700 HD12 :: 0.9700 HD13 :: 0.9700 HD21 :: 0.9200 HD22 :: 0.9200 HD23 :: 0.9200 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 :: 116.3800 Ave N Shift Values>> N :: 121.86(3.9) 1.S60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.1230 CA :: 62.8900 CB :: 62.8900 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.2080 HA :: 4.0210 HB2 :: 4.0300 HB3 :: 4.0300 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 112.3500 Ave N Shift Values>> N :: 116.28(3.52) 1.I61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.78 C 0.21 C Shift Assignments>> C :: 178.7803 CA :: 65.4800 CB :: 38.2200 CG1 :: 29.3200 CG2 :: 19.8140 CD1 :: 14.1330 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 :: 8.2530 HA :: 3.7780 HB :: 1.7740 HG12 :: 1.9200 HG13 :: 0.9800 HG21 :: 0.8700 HG22 :: 0.8700 HG23 :: 0.8700 HD11 :: 0.8100 HD12 :: 0.8100 HD13 :: 0.8100 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 :: 120.9400 Ave N Shift Values>> N :: 121.46(4.28) 1.L62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 L 0.24 R 0.19 K 0.03 C Shift Assignments>> C :: 176.6680 CA :: 58.0000 CB :: 41.7800 CG :: 27.3100 CD1 :: 27.9000 CD2 :: 23.6900 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 :: 7.8940 HA :: 4.1160 HB2 :: 2.0190 HB3 :: 1.2820 HG :: 1.9230 HD11 :: 0.9000 HD12 :: 0.9000 HD13 :: 0.9000 HD21 :: 0.9000 HD22 :: 0.9000 HD23 :: 0.9000 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 :: 118.9300 Ave N Shift Values>> N :: 121.86(3.9) 1.L63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 C 0.43 A 0.02 R 0.02 C Shift Assignments>> C :: 178.5899 CA :: 57.1400 CB :: 41.1700 CG :: 26.8700 CD1 :: 25.9100 CD2 :: 22.0800 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 :: 8.5320 HA :: 4.2490 HB2 :: 1.9850 HB3 :: 1.5530 HG :: 1.8500 HD11 :: 0.8450 HD12 :: 0.8450 HD13 :: 0.8450 HD21 :: 0.8290 HD22 :: 0.8290 HD23 :: 0.8290 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 :: 120.7300 Ave N Shift Values>> N :: 121.86(3.9) 1.E64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.3 K 0.13 Q 0.08 I 0.05 M 0.01 C Shift Assignments>> C :: 175.7560 CA :: 56.4680 CB :: 28.9490 CG :: 36.1270 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 :: 7.5390 HA :: 4.3510 HB2 :: 2.2840 HB3 :: 2.2840 HG2 :: 2.5570 HG3 :: 2.3650 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 :: 119.1400 Ave N Shift Values>> N :: 120.67(3.48) 1.E65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 I 0.17 E 0.1 K 0.09 Q 0.01 C Shift Assignments>> C :: 175.6975 CA :: 57.6700 CB :: 26.0900 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 :: 7.9730 HA :: 3.9030 HB2 :: 2.2920 HB3 :: 2.2920 HG2 :: 2.2100 HG3 :: 2.2100 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 :: 111.4800 Ave N Shift Values>> N :: 120.67(3.48) 1.V66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.69 C 0.3 C Shift Assignments>> C :: 175.5881 CA :: 62.7300 CB :: 32.4400 CG1 :: 22.5700 CG2 :: 21.5850 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 :: 6.8340 HA :: 3.7560 HB :: 1.6450 HG11 :: 0.8920 HG12 :: 0.8920 HG13 :: 0.8920 HG21 :: 0.8920 HG22 :: 0.8920 HG23 :: 0.8920 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.4900 Ave N Shift Values>> N :: 121.14(4.54) 1.S67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.I19 1.I19 C Shift Assignments>> CA :: 56.8900 CB :: 63.5200 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 :: 4.4930 HB2 :: 3.8650 HB3 :: 3.8650 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 :: 122.2200 Ave N Shift Values>> N :: 116.28(3.52) 1.P68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.83 C 0.16 C Shift Assignments>> C :: 177.8116 CA :: 65.2600 CB :: 32.2800 CG :: 27.7100 CD :: 51.2350 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 :: 4.0310 HB2 :: 2.0800 HB3 :: 1.9420 HG2 :: 2.1300 HG3 :: 2.0300 HD2 :: 3.8420 HD3 :: 3.8420 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.E69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.32 K 0.12 I 0.1 Q 0.08 C Shift Assignments>> C :: 177.1497 CA :: 58.0700 CB :: 28.6100 CG :: 35.9100 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 :: 8.7910 HA :: 4.2560 HB2 :: 2.0300 HB3 :: 2.0300 HG2 :: 2.2800 HG3 :: 2.1800 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 :: 114.2100 Ave N Shift Values>> N :: 120.67(3.48) 1.L70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.43 C 0.29 R 0.11 A 0.08 G 0.06 HN Overlap>> 1.E49 1.E49 C Shift Assignments>> C :: 178.1096 CA :: 55.0200 CB :: 43.1400 CG :: 27.3400 CD1 :: 22.2800 CD2 :: 25.3300 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 :: 8.0000 HA :: 4.3830 HB2 :: 1.7610 HB3 :: 1.4840 HG :: 1.5210 HD11 :: 0.8250 HD12 :: 0.8250 HD13 :: 0.8250 HD21 :: 0.9400 HD22 :: 0.9400 HD23 :: 0.9400 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.V71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.91 C 0.08 C Shift Assignments>> C :: 177.1581 CA :: 67.8100 CB :: 31.9100 CG1 :: 23.4700 CG2 :: 22.1600 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 :: 7.0680 HA :: 3.3260 HB :: 2.0800 HG11 :: 1.0220 HG12 :: 1.0220 HG13 :: 1.0220 HG21 :: 0.7910 HG22 :: 0.7910 HG23 :: 0.7910 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 :: 118.3800 Ave N Shift Values>> N :: 121.14(4.54) 1.C72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.23 K 0.18 Y 0.16 C 0.12 R 0.1 I 0.09 L 0.06 D 0.01 G 0.01 C Shift Assignments>> C :: 177.6961 CA :: 60.0800 CB :: 42.2100 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.2670 HA :: 4.0240 HB2 :: 2.9680 HB3 :: 2.7640 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 :: 115.4200 Ave N Shift Values>> N :: 120.17(4.64) 1.S73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 178.5929 CA :: 60.9400 CB :: 62.3600 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.3990 HA :: 4.5760 HB2 :: 3.7700 HB3 :: 3.6900 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 :: 117.8100 Ave N Shift Values>> N :: 116.28(3.52) 1.M74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 M 0.41 C Shift Assignments>> C :: 177.9869 CA :: 59.5000 CB :: 32.8300 CG :: 32.0690 CE :: 16.5700 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 :: 8.2720 HA :: 3.9400 HB2 :: 2.2400 HB3 :: 2.1300 HG2 :: 2.6400 HG3 :: 2.5000 HE1 :: 2.0750 HE2 :: 2.0750 HE3 :: 2.0750 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 :: 125.6900 Ave N Shift Values>> N :: 120.09(3.57) 1.L75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 L 0.3 R 0.19 A 0.13 G 0.03 C Shift Assignments>> C :: 175.6007 CA :: 54.4000 CB :: 42.4800 CG :: 26.3800 CD1 :: 22.4500 CD2 :: 27.1500 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 :: 7.2910 HA :: 4.1840 HB2 :: 1.4190 HB3 :: 1.4190 HG :: 1.7100 HD11 :: 0.8730 HD12 :: 0.8730 HD13 :: 0.8730 HD21 :: 0.6860 HD22 :: 0.6860 HD23 :: 0.6860 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 :: 114.5500 Ave N Shift Values>> N :: 121.86(3.9) 1.H76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.66 H 0.33 C Shift Assignments>> C :: 173.7996 CA :: 56.7000 CB :: 25.7200 CD2 :: 119.6840 CE1 :: 135.9580 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 :: 7.6410 HA :: 4.2860 HB2 :: 3.4730 HB3 :: 3.4730 HD2 :: 7.2580 HE1 :: 8.5580 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 :: 110.7900 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.L77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 C 0.34 R 0.07 A 0.03 G 0.02 C Shift Assignments>> C :: 176.9517 CA :: 55.8500 CB :: 42.5700 CG :: 27.3200 CD1 :: 22.6000 CD2 :: 24.9400 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 :: 7.8770 HA :: 4.3320 HB2 :: 1.7690 HB3 :: 1.2760 HG :: 1.1550 HD11 :: 0.5410 HD12 :: 0.5410 HD13 :: 0.5410 HD21 :: 0.2840 HD22 :: 0.2840 HD23 :: 0.2840 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 :: 117.0400 Ave N Shift Values>> N :: 121.86(3.9) 1.C78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 L 0.13 C 0.04 C Shift Assignments>> C :: 174.2758 CA :: 53.7900 CB :: 45.9600 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 6.8610 HA :: 4.8830 HB2 :: 3.2810 HB3 :: 2.1520 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 :: 112.7000 Ave N Shift Values>> N :: 120.17(4.64) 1.S79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.5966 CA :: 58.6700 CB :: 63.9100 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.9020 HA :: 4.3920 HB2 :: 3.8600 HB3 :: 3.8600 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 :: 117.1200 Ave N Shift Values>> N :: 116.28(3.52) 1.G80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> C :: 173.5685 CA :: 45.8100 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.3050 HA2 :: 3.9440 HA3 :: 3.9440 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.1400 Ave N Shift Values>> N :: 109.67(3.87) 1.L81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.65 C 0.27 R 0.03 G 0.01 A 0.01 C Shift Assignments>> C :: 177.1723 CA :: 55.1900 CB :: 42.4200 CG :: 27.0100 CD1 :: 24.8800 CD2 :: 23.7200 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 :: 8.1930 HA :: 4.3370 HB2 :: 1.5480 HB3 :: 1.5480 HG :: 1.5500 HD11 :: 0.8700 HD12 :: 0.8700 HD13 :: 0.8700 HD21 :: 0.8300 HD22 :: 0.8300 HD23 :: 0.8300 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 :: 121.3300 Ave N Shift Values>> N :: 121.86(3.9) 1.V82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 V 0.47 C Shift Assignments>> CA :: 59.7400 CB :: 32.7300 CG1 :: 20.4800 CG2 :: 21.1300 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 :: 8.0980 HA :: 4.4060 HB :: 2.0400 HG11 :: 0.9300 HG12 :: 0.9300 HG13 :: 0.9300 HG21 :: 0.9100 HG22 :: 0.9100 HG23 :: 0.9100 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 :: 122.6500 Ave N Shift Values>> N :: 121.14(4.54) 1.P83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.74 C 0.24 C Shift Assignments>> C :: 175.9193 CA :: 63.4000 CB :: 32.0000 CG :: 27.4470 CD :: 51.2020 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 :: 4.3790 HB2 :: 2.2630 HB3 :: 1.9280 HG2 :: 2.0400 HG3 :: 2.0400 HD2 :: 3.8400 HD3 :: 3.6600 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.R84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.43 C 0.42 K 0.07 G 0.06 C Shift Assignments>> CA :: 57.3490 CB :: 31.8250 CG :: 27.2400 CD :: 43.4300 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 :: 7.9730 HA :: 4.1530 HB2 :: 1.8300 HB3 :: 1.6900 HG2 :: 1.6200 HG3 :: 1.6200 HD2 :: 3.1800 HD3 :: 3.1800 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 :: 126.5400 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) ########################################################################### Overall Results: #Consistent: 84 #Clerical: 0 #Suspicious: 0 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 84 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 84 #Suspicious: 0 C Shift Results: #Consistent: 380 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 610 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 82 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0