Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.L2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> L 0.88 R 0.05 G 0.03 A 0.02 C Shift Assignments>> C :: 176.7730 CA :: 55.2990 CB :: 42.5290 CG :: 27.0000 CD1 :: 24.8770 CD2 :: 23.3500 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> HA :: 4.4350 HB2 :: 1.5390 HB3 :: 1.6250 HD11 :: 0.9330 HD12 :: 0.9330 HD13 :: 0.9330 HD21 :: 0.8980 HD22 :: 0.8980 HD23 :: 0.8980 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) 1.K3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.82 R 0.16 C Shift Assignments>> C :: 176.2240 CA :: 56.3440 CB :: 33.3350 CG :: 24.9500 CD :: 29.1500 CE :: 41.9840 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.5200 HA :: 4.3250 HB2 :: 1.7540 HB3 :: 1.7540 HG2 :: 1.4070 HG3 :: 1.4070 HD2 :: 1.8000 HD3 :: 1.8000 HE2 :: 3.0200 HE3 :: 3.0200 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 :: 123.2200 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.H4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.25 R 0.25 E 0.2 M 0.15 K 0.11 HN Overlap>> 1.H72 1.H72 C Shift Assignments>> C :: 175.3180 CA :: 55.9410 CB :: 30.6360 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 :: 8.4860 HA :: 4.7210 HB2 :: 3.1670 HB3 :: 3.2670 HD2 :: 7.2074 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 :: 119.7270 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.G5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.82 L 0.12 R 0.02 F 0.01 C Shift Assignments>> C :: 172.9660 CA :: 45.1460 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.6020 HA2 :: 3.8780 HA3 :: 4.0610 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.3180 Ave N Shift Values>> N :: 109.67(3.87) 1.K6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.78 R 0.19 G 0.01 C Shift Assignments>> C :: 175.1680 CA :: 56.1790 CB :: 34.2770 CG :: 24.9800 CD :: 29.1700 CE :: 42.1700 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 :: 8.2750 HA :: 4.4380 HB2 :: 1.7530 HB3 :: 1.7530 HG2 :: 1.2660 HG3 :: 1.2660 HD2 :: 1.6640 HD3 :: 1.6640 HE2 :: 2.9490 HE3 :: 2.9490 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 :: 120.8080 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Y7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 176.0040 CA :: 56.9710 CB :: 41.0320 CD1 :: 133.4680 CD2 :: 133.4680 CE1 :: 118.0510 CE2 :: 118.0510 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 :: 8.3510 HA :: 5.5130 HB2 :: 2.7329 HB3 :: 2.7954 HD1 :: 7.0240 HD2 :: 7.0240 HE1 :: 6.8310 HE2 :: 6.8310 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 :: 118.6660 Ave N Shift Values>> N :: 120.52(4.2) 1.V8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.98 A 0.01 C Shift Assignments>> C :: 173.2200 CA :: 59.6940 CB :: 35.2460 CG1 :: 21.9000 CG2 :: 19.2830 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 :: 9.0570 HA :: 4.8600 HB :: 2.1930 HG11 :: 0.9470 HG12 :: 0.9470 HG13 :: 0.9470 HG21 :: 0.7740 HG22 :: 0.7740 HG23 :: 0.7740 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 :: 115.9200 Ave N Shift Values>> N :: 121.14(4.54) 1.Y9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 175.0720 CA :: 56.5760 CB :: 41.5320 CD1 :: 132.7970 CD2 :: 132.7970 CE1 :: 117.9100 CE2 :: 117.9100 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 :: 9.1170 HA :: 5.5150 HB2 :: 2.6100 HB3 :: 2.8950 HD1 :: 6.9190 HD2 :: 6.9190 HE1 :: 6.7360 HE2 :: 6.7360 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 :: 118.7860 Ave N Shift Values>> N :: 120.52(4.2) 1.I10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.98 A 0.01 C Shift Assignments>> C :: 176.0440 CA :: 58.9480 CB :: 38.5370 CG1 :: 27.6220 CG2 :: 17.9570 CD1 :: 13.5080 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 :: 9.5140 HA :: 4.8870 HB :: 1.8400 HG12 :: 1.4460 HG13 :: 1.1980 HG21 :: 0.7220 HG22 :: 0.7220 HG23 :: 0.7220 HD11 :: 0.6960 HD12 :: 0.6960 HD13 :: 0.6960 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 :: 121.3760 Ave N Shift Values>> N :: 121.46(4.28) 1.D11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 L 0.27 K 0.13 N 0.08 F 0.06 R 0.05 Y 0.04 C Shift Assignments>> C :: 175.8500 CA :: 53.3770 CB :: 41.8080 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 :: 8.6760 HA :: 4.3900 HB2 :: 2.5130 HB3 :: 3.0340 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 126.5010 Ave N Shift Values>> N :: 120.65(3.86) 1.L12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.96 A 0.03 C Shift Assignments>> C :: 176.1320 CA :: 55.4390 CB :: 40.3120 CG :: 26.5000 CD1 :: 25.4930 CD2 :: 23.3410 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 :: 7.6920 HA :: 4.3190 HB2 :: 1.5260 HB3 :: 1.8710 HG :: 1.5340 HD11 :: 0.5080 HD12 :: 0.5080 HD13 :: 0.5080 HD21 :: 0.7320 HD22 :: 0.7320 HD23 :: 0.7320 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 :: 127.5050 Ave N Shift Values>> N :: 121.86(3.9) 1.N13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.44 Y 0.15 F 0.12 D 0.09 E 0.07 M 0.04 L 0.03 I 0.01 C Shift Assignments>> C :: 174.4400 CA :: 54.4820 CB :: 37.8610 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 9.1870 HA :: 4.3910 HB2 :: 2.7840 HB3 :: 3.1990 HD21 :: 7.5780 HD22 :: 7.0020 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 114.3510 ND2 :: 112.6140 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.N14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.67 D 0.16 F 0.05 Y 0.05 L 0.03 C Shift Assignments>> C :: 176.2130 CA :: 52.1490 CB :: 38.7270 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 :: 7.7370 HA :: 4.7790 HB2 :: 2.5790 HB3 :: 3.1770 HD21 :: 5.8640 HD22 :: 7.4670 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 115.0570 ND2 :: 106.2960 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.82 L 0.12 R 0.02 F 0.01 C Shift Assignments>> C :: 172.9680 CA :: 45.1360 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.7440 HA2 :: 3.6040 HA3 :: 4.3360 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.4530 Ave N Shift Values>> N :: 109.67(3.87) 1.K16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.5 K 0.45 G 0.03 C Shift Assignments>> C :: 175.2140 CA :: 54.6530 CB :: 35.3590 CG :: 25.8100 CD :: 29.4800 CE :: 42.4800 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 :: 7.5590 HA :: 4.9920 HB2 :: 1.4940 HB3 :: 1.8690 HG2 :: 1.1780 HG3 :: 1.2500 HD2 :: 1.5910 HD3 :: 1.4750 HE2 :: 2.9100 HE3 :: 2.9100 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 :: 116.5570 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Y17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.97 G 0.02 C Shift Assignments>> C :: 175.4910 CA :: 56.2550 CB :: 42.2700 CD1 :: 133.1130 CD2 :: 133.1130 CE1 :: 117.5130 CE2 :: 117.5130 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 :: 8.5770 HA :: 5.5510 HB2 :: 2.7800 HB3 :: 2.7800 HD1 :: 6.7710 HD2 :: 6.7710 HE1 :: 6.5940 HE2 :: 6.5940 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 117.0200 Ave N Shift Values>> N :: 120.52(4.2) 1.V18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 174.0460 CA :: 59.7110 CB :: 35.0760 CG1 :: 22.0800 CG2 :: 20.6200 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 :: 8.8290 HA :: 5.0270 HB :: 1.7130 HG11 :: 0.7870 HG12 :: 0.7870 HG13 :: 0.7870 HG21 :: 0.8330 HG22 :: 0.8330 HG23 :: 0.8330 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.0320 Ave N Shift Values>> N :: 121.14(4.54) 1.K19 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.92 R 0.07 C Shift Assignments>> C :: 175.6280 CA :: 56.9750 CB :: 33.3800 CG :: 25.1660 CD :: 29.7750 CE :: 41.1220 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 :: 8.3880 HA :: 4.0550 HB2 :: 1.3550 HB3 :: 1.9060 HG2 :: 0.5900 HG3 :: 0.5900 HD2 :: 1.2010 HD3 :: 1.2010 HE2 :: 2.0410(S) HE3 :: 2.1630(S) 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 :: 130.2510 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 173.5810 CA :: 60.4830 CB :: 35.6650 CG1 :: 22.4760 CG2 :: 22.4760 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 :: 9.4280 HA :: 4.9460 HB :: 2.0090 HG11 :: 0.9420 HG12 :: 0.9420 HG13 :: 0.9420 HG21 :: 0.9420 HG22 :: 0.9420 HG23 :: 0.9420 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 :: 127.5300 Ave N Shift Values>> N :: 121.14(4.54) 1.R21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.63 K 0.19 G 0.17 C Shift Assignments>> C :: 174.9050 CA :: 54.8640 CB :: 32.8810 CG :: 27.8100 CD :: 43.5260 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 :: 9.0840 HA :: 4.7160 HB2 :: 1.5900 HB3 :: 1.8120 HG2 :: 1.1620 HG3 :: 1.3200 HD2 :: 2.9520 HD3 :: 3.0270 HE :: 7.2240 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 :: 125.8040 NE :: 84.0400 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.I22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 175.8870 CA :: 59.7170 CB :: 38.6990 CG1 :: 27.1820 CG2 :: 17.7490 CD1 :: 13.4910 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 :: 8.5540 HA :: 4.6240 HB :: 1.5820 HG12 :: 0.7630 HG13 :: 1.3210 HG21 :: 0.5810 HG22 :: 0.5810 HG23 :: 0.5810 HD11 :: 0.6410 HD12 :: 0.6410 HD13 :: 0.6410 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 124.1670 Ave N Shift Values>> N :: 121.46(4.28) 1.L23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.75 G 0.14 R 0.07 A 0.01 C Shift Assignments>> C :: 176.1740 CA :: 53.8970 CB :: 43.5560 CG :: 27.3200 CD1 :: 25.2010 CD2 :: 24.1450 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 :: 8.8350 HA :: 4.6630 HB2 :: 1.5410 HB3 :: 1.5410 HG :: 1.4880 HD11 :: 0.8300 HD12 :: 0.8300 HD13 :: 0.8300 HD21 :: 0.7920 HD22 :: 0.7920 HD23 :: 0.7920 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 :: 128.9810 Ave N Shift Values>> N :: 121.86(3.9) 1.K24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.84 R 0.13 G 0.01 C Shift Assignments>> C :: 176.4070 CA :: 55.8080 CB :: 34.0820 CG :: 24.7560 CD :: 29.1400 CE :: 42.0700 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 :: 8.5660 HA :: 4.5680 HB2 :: 1.7500 HB3 :: 1.8150 HG2 :: 1.4350 HG3 :: 1.4350 HD2 :: 1.6650 HD3 :: 1.6650 HE2 :: 2.9510 HE3 :: 2.9510 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 :: 122.7970 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.0380 CA :: 58.1460 CB :: 63.9770 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.6680 HA :: 4.4770 HB2 :: 3.9530 HB3 :: 3.9530 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 :: 118.4530 Ave N Shift Values>> N :: 116.28(3.52) 1.R26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.79 G 0.11 K 0.08 C Shift Assignments>> C :: 176.6400 CA :: 57.1710 CB :: 30.7480 CG :: 27.1080 CD :: 43.3700 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 :: 8.6670 HA :: 4.2840 HB2 :: 1.9050 HB3 :: 1.9050 HG2 :: 1.6890 HG3 :: 1.6890 HD2 :: 3.2340 HD3 :: 3.2340 HE :: 7.3630 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 :: 123.0080 NE :: 84.7000 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.D27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.25 K 0.15 F 0.1 Y 0.07 N 0.07 R 0.02 C Shift Assignments>> C :: 176.0280 CA :: 54.6570 CB :: 41.4160 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 :: 8.2460 HA :: 4.5980 HB2 :: 2.6750 HB3 :: 2.7430 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 118.2810 Ave N Shift Values>> N :: 120.65(3.86) 1.D28 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 0.12 Y 0.09 N 0.08 R 0.01 C Shift Assignments>> C :: 176.1650 CA :: 54.8220 CB :: 41.1500 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 :: 8.0340 HA :: 4.5630 HB2 :: 2.7400 HB3 :: 2.7400 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 118.6460 Ave N Shift Values>> N :: 120.65(3.86) 1.N29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.47 D 0.19 Y 0.11 F 0.11 L 0.06 M 0.01 E 0.01 C Shift Assignments>> C :: 175.1160 CA :: 53.9510 CB :: 38.7790 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 :: 8.4730 HA :: 4.7340 HB2 :: 2.8650 HB3 :: 2.9240 HD21 :: 7.6460 HD22 :: 6.9860 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 :: 117.5190 ND2 :: 113.1720 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.S30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.2350 CA :: 58.6690 CB :: 64.4030 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.2060 HA :: 4.4930 HB2 :: 3.9550 HB3 :: 3.9550 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 :: 114.9100 Ave N Shift Values>> N :: 116.28(3.52) 1.V31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.8730 CA :: 62.9390 CB :: 32.8780 CG1 :: 21.3420 CG2 :: 21.1760 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 :: 8.2420 HA :: 4.0900 HB :: 2.0940 HG11 :: 0.8370 HG12 :: 0.8370 HG13 :: 0.8370 HG21 :: 0.9730 HG22 :: 0.9730 HG23 :: 0.9730 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.6400 Ave N Shift Values>> N :: 121.14(4.54) 1.E32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.68 M 0.25 I 0.03 K 0.02 C Shift Assignments>> C :: 175.5320 CA :: 56.8860 CB :: 31.0590 CG :: 36.7400 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.6790 HA :: 4.4170 HB2 :: 1.8100 HB3 :: 1.8500 HG2 :: 2.1100 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 :: 125.1440 Ave N Shift Values>> N :: 120.67(3.48) 1.K33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.75 R 0.22 G 0.01 C Shift Assignments>> C :: 174.1940 CA :: 55.3240 CB :: 35.2580 CG :: 24.9900 CD :: 29.3700 CE :: 42.1500 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 :: 8.2290 HA :: 4.5740 HB2 :: 1.6850 HB3 :: 1.7440 HG2 :: 1.2800 HG3 :: 1.3800 HD2 :: 1.6600 HD3 :: 1.6600 HE2 :: 2.9300 HE3 :: 2.9300 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 :: 120.2220 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Y34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 175.6670 CA :: 56.9840 CB :: 40.0360 CD1 :: 133.0000 CD2 :: 133.0000 CE1 :: 118.0800 CE2 :: 118.0800 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 :: 8.5520 HA :: 4.9100 HB2 :: 2.4840 HB3 :: 2.9350 HD1 :: 6.9510 HD2 :: 6.9510 HE1 :: 6.6560 HE2 :: 6.6560 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 :: 121.0140 Ave N Shift Values>> N :: 120.52(4.2) 1.V35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.4900 CA :: 61.8690 CB :: 33.5100 CG1 :: 20.8590 CG2 :: 20.8590 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 :: 9.3370 HA :: 4.3010 HB :: 2.0630 HG11 :: 0.8930 HG12 :: 0.8930 HG13 :: 0.8930 HG21 :: 1.0040 HG22 :: 1.0040 HG23 :: 1.0040 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 124.6240 Ave N Shift Values>> N :: 121.14(4.54) 1.L36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.88 R 0.1 C Shift Assignments>> C :: 177.3550 CA :: 56.6120 CB :: 41.8990 CG :: 27.9700 CD1 :: 24.9900 CD2 :: 24.4700 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 :: 8.8450 HA :: 4.3260 HB2 :: 1.7290 HB3 :: 1.6010 HG :: 1.8490 HD11 :: 0.8920 HD12 :: 0.8920 HD13 :: 0.8920 HD21 :: 0.8320 HD22 :: 0.8320 HD23 :: 0.8320 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 :: 127.8140 Ave N Shift Values>> N :: 121.86(3.9) 1.T37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.2280 CA :: 61.0230 CB :: 70.8290 CG2 :: 20.7780 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 :: 7.3740 HA :: 4.9040 HB :: 4.5750 HG21 :: 1.3320 HG22 :: 1.3320 HG23 :: 1.3320 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 :: 112.0160 Ave N Shift Values>> N :: 115.42(4.75) 1.S38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.6060 CA :: 57.9570 CB :: 63.8490 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.3870 HA :: 4.6350 HB2 :: 3.9340 HB3 :: 4.1390 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 :: 111.0490 Ave N Shift Values>> N :: 116.28(3.52) 1.H39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.99 C Shift Assignments>> C :: 173.1430 CA :: 56.3280 CB :: 29.9380 CD2 :: 119.5260 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 :: 8.4240 HA :: 4.7680 HB2 :: 3.1660 HB3 :: 3.2660 HD2 :: 7.0420 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 122.2300 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.V40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.7630 CA :: 60.6120 CB :: 34.0850 CG1 :: 21.7370 CG2 :: 21.7350 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 :: 8.3640 HA :: 4.9150 HB :: 2.0300 HG11 :: 0.7870 HG12 :: 0.7870 HG13 :: 0.7870 HG21 :: 0.9400 HG22 :: 0.9400 HG23 :: 0.9400 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 :: 126.5820 Ave N Shift Values>> N :: 121.14(4.54) 1.S41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 174.5050 CA :: 57.0010 CB :: 65.5040 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.2970 HA :: 4.9470 HB2 :: 3.9620 HB3 :: 3.9620 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 :: 121.0670 Ave N Shift Values>> N :: 116.28(3.52) 1.K42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.68 R 0.29 G 0.01 C Shift Assignments>> C :: 175.0370 CA :: 56.6000 CB :: 32.8270 CG :: 25.3400 CD :: 29.3800 CE :: 42.3200 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 :: 8.9620 HA :: 4.9050 HB2 :: 1.8250 HB3 :: 2.0770 HG2 :: 1.4752 HG3 :: 1.5530 HD2 :: 1.7750 HD3 :: 1.7750 HE2 :: 3.0190 HE3 :: 3.0190 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 :: 123.8120 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.39 N 0.33 L 0.15 F 0.05 Y 0.03 K 0.02 C Shift Assignments>> C :: 173.4790 CA :: 51.8400 CB :: 40.7630 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 :: 8.0530 HA :: 4.9060 HB2 :: 2.5970 HB3 :: 2.6590 HD21 :: 7.6430 HD22 :: 6.9720 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 115.7790 ND2 :: 114.2730 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.R44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.75 G 0.17 K 0.04 L 0.02 C Shift Assignments>> C :: 173.8690 CA :: 54.0340 CB :: 29.9170 CG :: 26.8900 CD :: 43.5400 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 :: 8.5650 HA :: 3.2170 HB2 :: 1.2620 HB3 :: 1.3170 HG2 :: 1.1530 HG3 :: 0.9070 HD2 :: 2.8770 HD3 :: 2.8770 HE :: 7.1470 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 :: 124.4710 NE :: 84.8800 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.P45 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 176.4340 CA :: 62.2920 CB :: 32.1100 CG :: 26.6670 CD :: 50.0240 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 :: 4.1230 HB2 :: 1.7230 HB3 :: 1.3040 HG2 :: 0.9690 HG3 :: 0.9690 HD2 :: 2.3350(S) HD3 :: 3.0140 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.K46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.78 R 0.2 G 0.01 C Shift Assignments>> C :: 176.9310 CA :: 57.0000 CB :: 33.0950 CG :: 25.0270 CD :: 29.1000 CE :: 42.2000 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 :: 8.4700 HA :: 4.1100 HB2 :: 1.7300 HB3 :: 1.7300 HG2 :: 1.4340 HG3 :: 1.4340 HD2 :: 1.6750 HD3 :: 1.6750 HE2 :: 3.0060 HE3 :: 3.0060 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 :: 122.5290 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.6 D 0.1 Y 0.09 F 0.08 E 0.04 M 0.03 L 0.02 C Shift Assignments>> C :: 174.0110 CA :: 53.4930 CB :: 37.8680 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 :: 8.7450 HA :: 4.5890 HB2 :: 2.8710 HB3 :: 2.9360 HD21 :: 7.7050 HD22 :: 6.9880 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 :: 117.1220 ND2 :: 113.2070 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.6 L 0.37 K 0.01 C Shift Assignments>> C :: 176.5060 CA :: 51.1360 CB :: 22.3890 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.3940 HA :: 4.6090 HB1 :: 1.2440 HB2 :: 1.2440 HB3 :: 1.2440 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.9080 Ave N Shift Values>> N :: 123.23(3.54) 1.I49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 174.7310 CA :: 61.5970 CB :: 38.1660 CG1 :: 27.7310 CG2 :: 17.4240 CD1 :: 12.6580 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 :: 8.8780 HA :: 4.1400 HB :: 2.0480 HG12 :: 1.3390 HG13 :: 1.7200 HG21 :: 0.9790 HG22 :: 0.9790 HG23 :: 0.9790 HD11 :: 0.9510 HD12 :: 0.9510 HD13 :: 0.9510 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 :: 123.1920 Ave N Shift Values>> N :: 121.46(4.28) 1.V50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 176.4110 CA :: 60.4990 CB :: 33.8900 CG1 :: 21.4730 CG2 :: 22.7410 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 :: 8.3710 HA :: 5.2890 HB :: 2.0160 HG11 :: 0.7800 HG12 :: 0.7800 HG13 :: 0.7800 HG21 :: 1.1050 HG22 :: 1.1050 HG23 :: 1.1050 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 :: 127.5520 Ave N Shift Values>> N :: 121.14(4.54) 1.I51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 175.3220 CA :: 59.4390 CB :: 41.1890 CG1 :: 27.0250 CG2 :: 17.2740 CD1 :: 13.6480 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 :: 9.3140 HA :: 4.6910 HB :: 1.8840 HG12 :: 1.0960 HG13 :: 1.4730 HG21 :: 0.9990 HG22 :: 0.9990 HG23 :: 0.9990 HD11 :: 0.8750 HD12 :: 0.8750 HD13 :: 0.8750 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 :: 126.9060 Ave N Shift Values>> N :: 121.46(4.28) 1.K52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.7 R 0.28 G 0.01 C Shift Assignments>> C :: 178.2370 CA :: 56.1200 CB :: 33.3920 CG :: 25.4660 CD :: 29.3380 CE :: 42.1250 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 :: 8.7370 HA :: 4.6860 HB2 :: 1.8620 HB3 :: 2.1430 HG2 :: 1.6130 HG3 :: 1.7260 HD2 :: 1.8010 HD3 :: 1.8010 HE2 :: 3.0920 HE3 :: 3.0920 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 :: 123.5230 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.M53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.98 A 0.01 C Shift Assignments>> C :: 177.4010 CA :: 58.7250 CB :: 33.3830 CG :: 32.1200 CE :: 17.2230 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 :: 8.7990 HA :: 3.9080 HB2 :: 1.9560 HB3 :: 2.1300 HG2 :: 2.3880 HG3 :: 2.5970 HE1 :: 2.0430 HE2 :: 2.0430 HE3 :: 2.0430 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 :: 119.7010 Ave N Shift Values>> N :: 120.09(3.57) 1.D54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.24 Y 0.21 D 0.18 L 0.18 K 0.09 N 0.03 I 0.03 C Shift Assignments>> C :: 176.6490 CA :: 56.6820 CB :: 40.6700 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 :: 8.2620 HA :: 4.2880 HB2 :: 2.4610 HB3 :: 2.7010 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 :: 113.3570 Ave N Shift Values>> N :: 120.65(3.86) 1.N55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.54 D 0.23 F 0.07 Y 0.06 L 0.06 C Shift Assignments>> C :: 175.0320 CA :: 52.8970 CB :: 39.1840 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 :: 7.9710 HA :: 5.0010 HB2 :: 2.6880 HB3 :: 3.1290 HD21 :: 7.7240 HD22 :: 7.0800 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 114.9350 ND2 :: 112.1680 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 A 0.32 R 0.12 G 0.02 C Shift Assignments>> C :: 174.1310 CA :: 52.9120 CB :: 41.9580 CG :: 26.3000 CD1 :: 22.5930 CD2 :: 27.0940 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 :: 7.3310 HA :: 4.4880 HB2 :: 1.1260 HB3 :: 1.7270 HG :: 1.7370 HD11 :: 0.6240 HD12 :: 0.6240 HD13 :: 0.6240 HD21 :: 0.7720 HD22 :: 0.7720 HD23 :: 0.7720 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 :: 120.3850 Ave N Shift Values>> N :: 121.86(3.9) 1.P57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 178.6270 CA :: 62.7510 CB :: 32.7180 CG :: 28.3310 CD :: 50.4420 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 :: 4.6170 HB2 :: 2.6640 HB3 :: 1.8890 HG2 :: 2.2270 HG3 :: 2.2270 HD2 :: 3.0740 HD3 :: 3.9120 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.I58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 176.7760 CA :: 64.5830 CB :: 37.9590 CG1 :: 28.7540 CG2 :: 17.6900 CD1 :: 13.5400 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 :: 8.8820 HA :: 3.7830 HB :: 1.9530 HG12 :: 1.3930 HG13 :: 1.6140 HG21 :: 1.0350 HG22 :: 1.0350 HG23 :: 1.0350 HD11 :: 0.9830 HD12 :: 0.9830 HD13 :: 0.9830 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 :: 125.2950 Ave N Shift Values>> N :: 121.46(4.28) 1.E59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.49 I 0.39 K 0.09 M 0.01 C Shift Assignments>> C :: 179.3700 CA :: 59.7570 CB :: 29.0530 CG :: 36.3790 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 :: 9.3480 HA :: 4.2540 HB2 :: 2.0900 HB3 :: 2.1300 HG2 :: 2.4240 HG3 :: 2.4240 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 :: 118.8690 Ave N Shift Values>> N :: 120.67(3.48) 1.V60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 177.4510 CA :: 65.3310 CB :: 31.8690 CG1 :: 21.5090 CG2 :: 22.6040 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 :: 7.2900 HA :: 3.7720 HB :: 1.9700 HG11 :: 0.7680 HG12 :: 0.7680 HG13 :: 0.7680 HG21 :: 0.9820 HG22 :: 0.9820 HG23 :: 0.9820 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 :: 118.9900 Ave N Shift Values>> N :: 121.14(4.54) 1.K61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.68 R 0.29 G 0.02 C Shift Assignments>> C :: 179.4440 CA :: 61.0600 CB :: 32.1960 CG :: 25.9570 CD :: 29.8320 CE :: 42.0330 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 :: 8.0430 HA :: 3.7820 HB2 :: 1.9030 HB3 :: 1.9030 HG2 :: 1.3380 HG3 :: 1.4800 HD2 :: 1.7280 HD3 :: 1.7280 HE2 :: 3.0110 HE3 :: 3.0110 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 :: 120.8240 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.3 Y 0.25 L 0.13 K 0.11 D 0.09 I 0.06 N 0.01 C Shift Assignments>> C :: 178.4200 CA :: 57.8510 CB :: 40.7800 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 :: 8.7660 HA :: 4.4270 HB2 :: 2.6550 HB3 :: 2.7890 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 :: 119.2310 Ave N Shift Values>> N :: 120.65(3.86) 1.K63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.61 R 0.35 G 0.02 C Shift Assignments>> C :: 178.8660 CA :: 59.6670 CB :: 32.9290 CG :: 25.7350 CD :: 29.6690 CE :: 42.4720 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 :: 7.3910 HA :: 4.0250 HB2 :: 1.9080 HB3 :: 2.0530 HG2 :: 1.4640 HG3 :: 1.7120 HD2 :: 1.7810 HD3 :: 1.7400 HE2 :: 3.0180 HE3 :: 3.0180 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 :: 119.6230 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.69 R 0.26 G 0.02 K 0.01 C Shift Assignments>> C :: 178.7930 CA :: 58.0110 CB :: 42.2510 CG :: 26.9910 CD1 :: 26.9920 CD2 :: 24.4420 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 :: 8.3570 HA :: 4.2160 HB2 :: 1.5730 HB3 :: 2.0850 HG :: 1.9440 HD11 :: 0.8410 HD12 :: 0.8410 HD13 :: 0.8410 HD21 :: 0.9150 HD22 :: 0.9150 HD23 :: 0.9150 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 :: 118.8060 Ave N Shift Values>> N :: 121.86(3.9) 1.T65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 176.4100 CA :: 66.7050 CB :: 68.8760 CG2 :: 21.5680 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 :: 8.3430 HA :: 3.9200 HB :: 4.3990 HG21 :: 1.2880 HG22 :: 1.2880 HG23 :: 1.2880 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 115.1020 Ave N Shift Values>> N :: 115.42(4.75) 1.R66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.77 G 0.16 K 0.06 C Shift Assignments>> C :: 177.9880 CA :: 58.9610 CB :: 30.3020 CG :: 27.5300 CD :: 43.5700 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 :: 7.8320 HA :: 4.0670 HB2 :: 1.7650 HB3 :: 1.7990 HG2 :: 1.4800 HG3 :: 1.5630 HD2 :: 3.1320 HD3 :: 3.0940 HE :: 7.3620 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 119.4050 NE :: 85.0700 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.F67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> C :: 177.1410 CA :: 59.9890 CB :: 39.2690 CD1 :: 131.1280 CD2 :: 131.1280 CE1 :: 131.1910 CE2 :: 131.1910 CZ :: 129.8100 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 :: 8.1900 HA :: 4.3230 HB2 :: 2.6130 HB3 :: 2.8730 HD1 :: 6.8110 HD2 :: 6.8110 HE1 :: 7.1950 HE2 :: 7.1950 HZ :: 7.2420 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 :: 117.3040 Ave N Shift Values>> N :: 120.45(4.18) 1.F68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> C :: 175.9690 CA :: 59.1120 CB :: 40.1000 CD1 :: 132.2910 CD2 :: 132.2910 CE1 :: 131.1280 CE2 :: 131.1280 CZ :: 130.3800 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 :: 8.0870 HA :: 4.6960 HB2 :: 3.3260 HB3 :: 2.9870 HD1 :: 7.4620 HD2 :: 7.4620 HE1 :: 7.3500 HE2 :: 7.3500 HZ :: 7.4280 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 :: 114.2970 Ave N Shift Values>> N :: 120.45(4.18) 1.L69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.95 R 0.02 A 0.01 C Shift Assignments>> C :: 177.4250 CA :: 55.8050 CB :: 41.3990 CG :: 27.0000 CD1 :: 23.6760 CD2 :: 25.2490 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 :: 7.8230 HA :: 4.4760 HB2 :: 1.6740 HB3 :: 1.9730 HG :: 1.6700 HD11 :: 0.9430 HD12 :: 0.9430 HD13 :: 0.9430 HD21 :: 0.9670 HD22 :: 0.9670 HD23 :: 0.9670 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 :: 119.5940 Ave N Shift Values>> N :: 121.86(3.9) 1.L70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.87 R 0.06 A 0.03 G 0.01 C Shift Assignments>> C :: 177.4430 CA :: 55.2880 CB :: 42.2050 CG :: 26.8000 CD1 :: 23.1980 CD2 :: 25.3020 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 :: 7.9050 HA :: 4.3410 HB2 :: 1.5830 HB3 :: 1.7100 HG :: 1.6700 HD11 :: 0.8630 HD12 :: 0.8630 HD13 :: 0.8630 HD21 :: 0.9330 HD22 :: 0.9330 HD23 :: 0.9330 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 :: 119.7230 Ave N Shift Values>> N :: 121.86(3.9) 1.E71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.67 M 0.2 K 0.08 I 0.03 C Shift Assignments>> C :: 176.2500 CA :: 56.6090 CB :: 30.4750 CG :: 36.2900 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 :: 8.2440 HA :: 4.2000 HB2 :: 1.9070 HB3 :: 1.9070 HG2 :: 2.1470 HG3 :: 2.2180 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 :: 120.5330 Ave N Shift Values>> N :: 120.67(3.48) 1.H72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.26 R 0.23 E 0.21 K 0.16 M 0.1 I 0.01 HN Overlap>> 1.H4 1.H4 C Shift Assignments>> C :: 174.6450 CA :: 55.7370 CB :: 29.9010 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 :: 8.4030 HA :: 4.6230 HB2 :: 3.0740 HB3 :: 3.1240 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 :: 119.7830 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.H73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.26 R 0.23 E 0.21 K 0.15 M 0.11 I 0.01 C Shift Assignments>> C :: 174.5520 CA :: 55.7540 CB :: 29.9760 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 :: 8.5390 HA :: 4.6250 HB2 :: 3.0330 HB3 :: 3.1660 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 120.1990 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.H74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.26 R 0.23 E 0.21 K 0.16 M 0.1 I 0.01 C Shift Assignments>> C :: 174.6380 CA :: 55.7710 CB :: 29.9160 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 :: 8.6810 HA :: 4.6550 HB2 :: 3.0820 HB3 :: 3.1640 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 120.4570 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.H75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.26 R 0.23 E 0.21 K 0.16 M 0.1 I 0.01 HN Overlap>> 1.H76 1.H76 C Shift Assignments>> C :: 174.5250 CA :: 55.7580 CB :: 29.9340 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 :: 8.7550 HA :: 4.6710 HB2 :: 3.1260 HB3 :: 3.1730 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 120.7820 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.H76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.25 R 0.22 E 0.21 K 0.17 M 0.1 I 0.01 HN Overlap>> 1.H75 1.H75 C Shift Assignments>> C :: 173.8730 CA :: 55.9210 CB :: 29.8480 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 :: 8.6930 HA :: 4.6660 HB2 :: 3.2120 HB3 :: 3.2120 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 120.7370 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.H77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.24 H 0.23 R 0.22 K 0.15 M 0.08 I 0.02 V 0.01 C Shift Assignments>> C :: 179.0700 CA :: 57.2560 CB :: 29.9740 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 :: 8.3370 HA :: 4.4830 HB2 :: 3.1440 HB3 :: 3.2630 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 :: 125.4660 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) ########################################################################### Overall Results: #Consistent: 75 #Clerical: 0 #Suspicious: 2 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 76 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 1 Shift Relative Order (SRO) Results: #Consistent: 77 #Suspicious: 0 C Shift Results: #Consistent: 360 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 576 #Duplicate: 0 #Unknown: 0 #Suspicious: 3 #Anomalous: 0 N Shift Results: #Consistent: 83 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.K19 HE2 = 2.0410(S), Expected = 2.92, Std = 0.1900, ChiSquare = 3.7223e-06 1.K19 HE3 = 2.1630(S), Expected = 2.91, Std = 0.2000, ChiSquare = 1.8772e-04 1.P45 HD2 = 2.3350(S), Expected = 3.65, Std = 0.3500, ChiSquare = 1.7186e-04