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.A2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.Q3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable C Shift Assignments>> C :: 174.0810 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) 1.N4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.45 D 0.22 C 0.17 F 0.07 L 0.04 E 0.01 C Shift Assignments>> C :: 172.1100 CA :: 53.2960 CB :: 38.9590 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.4990 HA :: 4.6230 HB2 :: 2.7460 HB3 :: 2.7850 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 109.5750 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.N5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.49 C 0.2 D 0.15 F 0.07 L 0.02 E 0.02 M 0.01 C Shift Assignments>> C :: 173.0170 CA :: 53.2960 CB :: 38.3270 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.3930 HA :: 4.6820 HB2 :: 2.7230 HB3 :: 2.7860 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 119.0680 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.E6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.35 C 0.34 K 0.09 I 0.08 M 0.06 Q 0.05 C Shift Assignments>> C :: 173.4550 CA :: 57.5550 CB :: 29.8830 CG :: 36.1700 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.5850 HA :: 4.1660 HB2 :: 1.9420 HG2 :: 2.2020 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 122.0990 Ave N Shift Values>> N :: 120.68(3.68) 1.N7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.42 D 0.26 C 0.15 F 0.07 L 0.06 C Shift Assignments>> C :: 172.0080 CA :: 52.9650 CB :: 39.3990 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.3630 HA :: 4.7290 HB2 :: 2.8400 HB3 :: 2.6440 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 117.4140 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.A8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.76 M 0.19 C 0.02 C Shift Assignments>> C :: 174.7520 CA :: 52.4190 CB :: 19.4180 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.6080 HA :: 4.2450 HB1 :: 1.0800 HB2 :: 1.0800 HB3 :: 1.0800 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.3640 Ave N Shift Values>> N :: 123.23(3.7) 1.L9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 K 0.22 C 0.17 R 0.04 G 0.01 C Shift Assignments>> CA :: 53.3590 CB :: 42.0880 CG :: 26.9220 CD1 :: 25.4280 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.6780 HA :: 4.3200 HB2 :: 1.7830 HG :: 0.9800 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.5210 Ave N Shift Values>> N :: 121.98(4.07) 1.P10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.53 C 0.25 R 0.11 K 0.04 Q 0.01 I 0.01 C Shift Assignments>> C :: 173.7810 CA :: 61.8950 CB :: 32.1540 CG :: 26.9790 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.4680 HB2 :: 2.2550 HB3 :: 1.8330 HG2 :: 1.7770 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.D11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.26 F 0.17 C 0.17 L 0.15 N 0.12 K 0.07 I 0.01 HN Overlap>> 1.Q23 1.Q23 C Shift Assignments>> C :: 175.5170 CA :: 55.4230 CB :: 40.2430 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.4790 HA :: 4.6010 HB2 :: 2.3120 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.5120 Ave N Shift Values>> N :: 120.73(4.2) 1.I12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.73 C 0.26 C Shift Assignments>> C :: 172.4710 CA :: 61.4090 CB :: 40.2970 CG1 :: 27.2720 CG2 :: 17.5800 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.4490 HA :: 4.2160 HB :: 1.8400 HG21 :: 0.9300 HG22 :: 0.9300 HG23 :: 0.9300 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 122.7750 Ave N Shift Values>> N :: 121.6(4.72) 1.T13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.84 C 0.14 C Shift Assignments>> C :: 171.3300 CA :: 59.8380 CB :: 71.0490 CG2 :: 20.4000 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.3760 HA :: 5.5480 HB :: 3.8720 HG21 :: 1.0100 HG22 :: 1.0100 HG23 :: 1.0100 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 121.4150 Ave N Shift Values>> N :: 115.7(5.05) 1.K14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 K 0.35 A 0.02 C Shift Assignments>> C :: 172.0820 CA :: 53.0460 CB :: 35.3000 CG :: 24.0980 CD :: 27.9520 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.7980 HA :: 4.8300 HB2 :: 1.7010 HB3 :: 1.9130 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 122.8400 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.S15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.92 T 0.07 C Shift Assignments>> C :: 170.7030 CA :: 57.1870 CB :: 66.1370 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.5070 HA :: 5.7840 HB2 :: 3.7760 HB3 :: 3.5840 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 116.5680 Ave N Shift Values>> N :: 116.3(3.95) 1.I16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.5 C 0.46 G 0.02 C Shift Assignments>> C :: 170.3660 CA :: 60.6240 CB :: 42.2020 CG1 :: 28.1650 CG2 :: 16.8390 CD1 :: 15.5190 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.1410 HA :: 4.5730 HB :: 1.8660 HG12 :: 0.8340 HG13 :: 1.4870 HG21 :: 0.7460 HG22 :: 0.7460 HG23 :: 0.7460 HD11 :: 0.7760 HD12 :: 0.7760 HD13 :: 0.7760 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 121.5840 Ave N Shift Values>> N :: 121.6(4.72) 1.T17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 C Shift Assignments>> C :: 171.2280 CA :: 62.0970 CB :: 68.8790 CG2 :: 22.4960 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.4940 HA :: 4.8920 HB :: 3.9090 HG21 :: 0.9670 HG22 :: 0.9670 HG23 :: 0.9670 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 121.4630 Ave N Shift Values>> N :: 115.7(5.05) 1.L18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.5 L 0.25 C 0.19 R 0.04 C Shift Assignments>> C :: 174.2290 CA :: 53.0460 CB :: 44.6810 CG :: 26.8540 CD1 :: 26.9610 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.3260 HA :: 4.4920 HB2 :: 1.4140 HB3 :: 1.6750 HG :: 1.0860 HD11 :: 1.4530 HD12 :: 1.4530 HD13 :: 1.4530 HD21 :: 0.5630 HD22 :: 0.5630 HD23 :: 0.5630 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 128.1620 Ave N Shift Values>> N :: 121.98(4.07) 1.E19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 E 0.14 K 0.12 Q 0.09 I 0.03 R 0.02 M 0.01 C Shift Assignments>> C :: 171.6900 CA :: 54.8620 CB :: 26.6810 CG :: 35.7640 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.6800 HA :: 4.2430 HB2 :: 1.6930 HB3 :: 2.0610 HG2 :: 2.2150 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 127.0500 Ave N Shift Values>> N :: 120.68(3.68) 1.A20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.79 M 0.08 C 0.06 L 0.04 C Shift Assignments>> CA :: 50.2270 CB :: 20.9530 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.0010 HA :: 4.5650 HB1 :: 0.9750 HB2 :: 0.9750 HB3 :: 0.9750 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.7810 Ave N Shift Values>> N :: 123.23(3.7) 1.P21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.65 C 0.33 C Shift Assignments>> C :: 176.3670 CA :: 61.7840 CB :: 32.8260 CG :: 27.5010 CD :: 50.4290 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.3570 HB2 :: 2.3280 HB3 :: 2.1200 HG2 :: 2.0190 HG3 :: 1.8970 HD2 :: 3.3710 HD3 :: 3.7520 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.I22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.68 P 0.25 C 0.05 C Shift Assignments>> C :: 173.6300 CA :: 66.1460 CB :: 32.8150 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.9890 HA :: 4.0100 HB :: 1.9690 HG12 :: 1.4640 HG13 :: 1.6140 HG21 :: 0.8500 HG22 :: 0.8500 HG23 :: 0.8500 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 124.3390 Ave N Shift Values>> N :: 121.6(4.72) 1.Q23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 Q 0.18 K 0.18 R 0.1 E 0.05 I 0.04 P 0.04 M 0.01 HN Overlap>> 1.D11 1.D11 C Shift Assignments>> C :: 176.1030 CA :: 59.7590 CB :: 27.4540 CG :: 33.6120 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.5760 HA :: 3.9830 HB2 :: 1.9750 HB3 :: 2.0390 HG2 :: 2.4280 HG3 :: 2.3300 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 120.5060 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.K24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.35 C 0.34 R 0.27 M 0.02 G 0.01 C Shift Assignments>> C :: 176.7550 CA :: 57.7190 CB :: 32.0790 CG :: 24.7310 CD :: 28.5090 CE :: 42.2220 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.1170 HA :: 4.1790 HB2 :: 1.9220 HG2 :: 2.1380 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 117.4960 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.V25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.95 C 0.04 C Shift Assignments>> C :: 174.9270 CA :: 67.2000 CB :: 31.0810 CG1 :: 22.9730 CG2 :: 22.3590 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.5890 HA :: 3.2010 HB :: 2.0700 HG11 :: 0.7060 HG12 :: 0.7060 HG13 :: 0.7060 HG21 :: 0.6460 HG22 :: 0.6460 HG23 :: 0.6460 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 121.2850 Ave N Shift Values>> N :: 121.02(4.96) 1.W26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.92 W 0.06 H 0.01 C Shift Assignments>> C :: 177.8280 CA :: 59.8000 CB :: 29.7470 CD1 :: 122.8090 CE3 :: 120.1810 CZ2 :: 113.7490 CZ3 :: 117.3820 CH2 :: 125.9340 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 9.5380 HA :: 4.5110 HB2 :: 3.4300 HB3 :: 3.1870 HD1 :: 7.3550 HE1 :: 9.5150 HE3 :: 7.3940 HZ2 :: 7.3710 HZ3 :: 6.5400 HH2 :: 7.0430 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 120.2670 NE1 :: 126.4840 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.E27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.3 I 0.28 K 0.03 M 0.01 C Shift Assignments>> C :: 174.2790 CA :: 59.9750 CB :: 29.6950 CG :: 36.7720 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.9600 HA :: 3.6620 HB2 :: 2.1610 HB3 :: 2.0450 HG2 :: 2.4140 HG3 :: 2.4010 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.6730 Ave N Shift Values>> N :: 120.68(3.68) 1.T28 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 :: 171.3080 CA :: 66.0140 CB :: 68.5620 CG2 :: 22.2860 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.2900 HA :: 3.8330 HB :: 4.0030 HG21 :: 0.9170 HG22 :: 0.9170 HG23 :: 0.9170 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 114.0930 Ave N Shift Values>> N :: 115.7(5.05) 1.V29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.63 V 0.35 C Shift Assignments>> C :: 169.8910 CA :: 60.2610 CB :: 30.9080 CG1 :: 18.9240 CG2 :: 20.0850 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.3700 HA :: 4.6270 HB :: 2.4640 HG11 :: 0.8280 HG12 :: 0.8280 HG13 :: 0.8280 HG21 :: 0.1390 HG22 :: 0.1390 HG23 :: 0.1390 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 109.9860 Ave N Shift Values>> N :: 121.02(4.96) 1.S30 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 :: 170.2010 CA :: 57.8060 CB :: 65.1640 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 6.9120 HA :: 4.0430 HB2 :: 3.5520 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 108.5590 Ave N Shift Values>> N :: 116.3(3.95) 1.T31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.62 T 0.31 A 0.06 C Shift Assignments>> C :: 171.1860 CA :: 57.9940 CB :: 73.0700 CG2 :: 21.7370 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 6.7540 HA :: 4.3660 HB :: 4.6740 HG21 :: 1.2580 HG22 :: 1.2580 HG23 :: 1.2580 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 105.9970 Ave N Shift Values>> N :: 115.7(5.05) 1.S32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.7340 CA :: 60.4360 CB :: 62.9590 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.2490 HA :: 5.4900 HB2 :: 3.8920 HB3 :: 3.8900 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 118.5490 Ave N Shift Values>> N :: 116.3(3.95) 1.E33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.31 I 0.25 K 0.06 Q 0.01 M 0.01 C Shift Assignments>> C :: 176.0450 CA :: 59.4550 CB :: 29.0590 CG :: 36.6050 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.2530 HA :: 4.1460 HB2 :: 2.0090 HB3 :: 1.9240 HG2 :: 2.2790 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.0820 Ave N Shift Values>> N :: 120.68(3.68) 1.G34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.37 C 0.26 P 0.2 A 0.08 N 0.03 L 0.01 D 0.01 C Shift Assignments>> C :: 173.0710 CA :: 48.0360 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.5710 HA2 :: 3.8280 HA3 :: 3.7050 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.1250 Ave N Shift Values>> N :: 109.91(4.29) 1.I35 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.82 C 0.17 HN Overlap>> 1.E81 1.E81 C Shift Assignments>> CA :: 64.9460 CB :: 38.5200 CG1 :: 31.2680 CG2 :: 18.5220 CD1 :: 11.5700 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.2740 HA :: 3.1410 HB :: 1.2850 HG12 :: 0.4640 HG13 :: 0.4560 HG21 :: 0.5060 HG22 :: 0.5060 HG23 :: 0.5060 HD11 :: -0.5120(S) HD12 :: -0.5120(S) HD13 :: -0.5120(S) Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 120.6180 Ave N Shift Values>> N :: 121.6(4.72) 1.A36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.47 A 0.46 C 0.02 I 0.02 C Shift Assignments>> CA :: 54.6240 CB :: 18.3890 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.6780 HA :: 4.1090 HB1 :: 1.3790 HB2 :: 1.3790 HB3 :: 1.3790 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 118.7200 Ave N Shift Values>> N :: 123.23(3.7) 1.K37 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.W38 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.F39 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.M40 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.74 C 0.16 R 0.05 K 0.02 C Shift Assignments>> C :: 172.5240 CA :: 63.2650 CB :: 31.4970 CG :: 27.7070 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.3410 HB2 :: 2.3180 HB3 :: 1.6320 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.N42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 G 0.24 R 0.21 C 0.13 D 0.05 F 0.02 K 0.01 C Shift Assignments>> C :: 169.6000 CA :: 54.7420 CB :: 44.2440 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.5370 HA :: 5.4140 HB2 :: 2.3430 HB3 :: 2.7860 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 117.1290 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.D43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.54 D 0.19 C 0.16 F 0.05 L 0.03 C Shift Assignments>> C :: 172.9030 CA :: 52.2650 CB :: 38.8130 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.3000 HA :: 4.7950 HB2 :: 2.4120 HB3 :: 2.9810 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.0570 Ave N Shift Values>> N :: 120.73(4.2) 1.F44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.31 I 0.26 C 0.21 K 0.11 R 0.04 L 0.03 HN Overlap>> 1.E90 1.E90 C Shift Assignments>> C :: 171.9090 CA :: 60.9100 CB :: 41.3130 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 9.0380 HA :: 2.7490 HB2 :: 2.0550 HB3 :: 1.9240 HD1 :: 7.1410 HE1 :: 6.5920 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 121.1700 Ave N Shift Values>> N :: 120.69(4.18) 1.Q45 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Anomalous H Shifts: Anomalous N Shifts: Consistent PRTL>> C 0.66 K 0.31 R 0.01 C Shift Assignments>> C :: 171.2300 CA :: 54.5710 CB :: 33.9790 CG :: 40.4020(A) Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 5.6690(A) HA :: 4.4140 HB2 :: 2.0940 HB3 :: 2.2100 HG2 :: 2.7140 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 122.3500 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.L46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.43 C 0.32 K 0.19 R 0.02 I 0.02 C Shift Assignments>> C :: 171.7390 CA :: 53.5690 CB :: 40.3940 CG :: 25.8070 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.3210 HA :: 3.7620 HB2 :: 2.1280 HB3 :: 1.5890 HG :: 1.6400 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 123.9960 Ave N Shift Values>> N :: 121.98(4.07) 1.K47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 K 0.39 R 0.16 M 0.01 G 0.01 C Shift Assignments>> C :: 172.1810 CA :: 55.6140 CB :: 35.1530 CG :: 24.6400 CD :: 29.1010 CE :: 42.1920 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.3410 HA :: 4.3200 HB2 :: 1.5480 HB3 :: 1.4300 HG2 :: 1.2640 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 128.4990 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.36 C 0.34 E 0.25 K 0.02 C Shift Assignments>> C :: 174.4090 CA :: 59.6500 CB :: 29.1460 CG :: 37.4910 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.1270 HA :: 3.5050 HB2 :: 1.9460 HB3 :: 1.9000 HG2 :: 2.3690 HG3 :: 2.0970 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 126.6230 Ave N Shift Values>> N :: 120.68(3.68) 1.G49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.08 L 0.08 R 0.02 C Shift Assignments>> C :: 174.2200 CA :: 45.5240 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.4370 HA2 :: 4.2420 HA3 :: 3.6830 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 113.0430 Ave N Shift Values>> N :: 109.91(4.29) 1.Q50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.34 K 0.08 M 0.07 I 0.07 Q 0.04 C Shift Assignments>> C :: 173.5240 CA :: 57.3050 CB :: 30.0290 CG :: 36.2660 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.8270 HA :: 4.1620 HB2 :: 1.9110 HB3 :: 2.0030 HG2 :: 2.2050 HG3 :: 2.2990 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 121.8850 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.E51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.21 Q 0.21 C 0.2 K 0.18 H 0.04 W 0.04 R 0.04 E 0.02 V 0.01 C Shift Assignments>> C :: 172.6680 CA :: 55.5710 CB :: 33.6790 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.0620 HA :: 4.4780 HB2 :: 1.7550 HG2 :: 2.0990 HG3 :: 1.7570 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.9740 Ave N Shift Values>> N :: 120.68(3.68) 1.F52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.1 R 0.1 Q 0.1 H 0.09 C 0.09 M 0.08 E 0.08 W 0.08 L 0.06 F 0.06 S 0.04 D 0.03 C Shift Assignments>> CA :: 56.8060 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.8800 HA :: 5.0510 HB2 :: 3.0800 HB3 :: 2.8990 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 120.7920 Ave N Shift Values>> N :: 120.69(4.18) 1.H53 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.L54 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.Q55 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S56 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P57 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.F58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> F 0.35 I 0.23 C 0.21 K 0.1 L 0.04 R 0.02 D 0.01 C Shift Assignments>> C :: 173.5320 CA :: 60.0340 CB :: 40.8120 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) 1.G59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.08 L 0.08 R 0.02 C Shift Assignments>> CA :: 45.5460 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.3030 HA2 :: 3.6480 HA3 :: 3.9570 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 113.4800 Ave N Shift Values>> N :: 109.91(4.29) 1.P60 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S61 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P62 Overall: Anomalous Typing: Suspicious SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.53 I 0.21 K 0.08 Q 0.06 E 0.06 R 0.01 M 0.01 C Shift Assignments>> CA :: 63.1260 CB :: 29.5940 CG :: 33.8140(A) Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.0380 HB2 :: 1.9450 HB3 :: 1.9870 HG2 :: 2.2960 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) SRO Rule Breaks>> (CB > CG : 0.9931) 1.C63 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.2 K 0.18 Q 0.17 M 0.16 W 0.06 R 0.05 V 0.05 H 0.04 E 0.04 C Shift Assignments>> C :: 171.9500 CA :: 57.5520 CB :: 33.3990 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.5170 HA :: 5.0540 HB2 :: 2.1420 HB3 :: 0.3610(S) Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 120.1540 Ave N Shift Values>> N :: 119.95(4.79) 1.K64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 K 0.33 R 0.1 M 0.02 C Shift Assignments>> C :: 173.2860 CA :: 56.1790 CB :: 36.2790 CG :: 24.1960 CD :: 29.3140 CE :: 41.5430 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.9680 HA :: 5.0660 HB2 :: 1.6420 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 119.7140 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.V65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.73 C 0.26 C Shift Assignments>> C :: 173.3920 CA :: 65.5720 CB :: 31.6400 CG1 :: 24.6700 CG2 :: 22.9310 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.6140 HA :: 3.9870 HB :: 2.5180 HG11 :: 1.0570 HG12 :: 1.0570 HG13 :: 1.0570 HG21 :: 0.8800 HG22 :: 0.8800 HG23 :: 0.8800 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 127.9660 Ave N Shift Values>> N :: 121.02(4.96) 1.L66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.39 C 0.31 G 0.19 A 0.07 K 0.01 C Shift Assignments>> C :: 173.6530 CA :: 55.6140 CB :: 43.7900 CG :: 26.2680 CD1 :: 22.1530 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.3460 HA :: 4.3040 HB2 :: 1.4600 HB3 :: 1.6140 HD11 :: 0.8350 HD12 :: 0.8350 HD13 :: 0.8350 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 131.0820 Ave N Shift Values>> N :: 121.98(4.07) 1.A67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.41 L 0.27 M 0.15 C 0.11 K 0.01 C Shift Assignments>> C :: 172.7240 CA :: 51.9820 CB :: 22.0530 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.5650 HA :: 4.7540 HB1 :: 1.2970 HB2 :: 1.2970 HB3 :: 1.2970 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.2350 Ave N Shift Values>> N :: 123.23(3.7) 1.V68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.64 C 0.35 C Shift Assignments>> C :: 172.1780 CA :: 62.3210 CB :: 35.7200 CG1 :: 21.4560 CG2 :: 21.5330 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.1350 HA :: 4.4700 HB :: 2.1110 HG11 :: 1.2170 HG12 :: 1.2170 HG13 :: 1.2170 HG21 :: 0.9100 HG22 :: 0.9100 HG23 :: 0.9100 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120.6380 Ave N Shift Values>> N :: 121.02(4.96) 1.Q69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 E 0.23 Q 0.17 K 0.16 M 0.09 C Shift Assignments>> C :: 170.9940 CA :: 54.0970 CB :: 29.5900 CG :: 35.2400 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 9.1520 HA :: 4.5530 HB2 :: 1.8780 HB3 :: 2.0000 HG2 :: 2.1160 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 129.5380 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.A70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.85 M 0.12 C 0.01 C Shift Assignments>> CA :: 50.9160 CB :: 18.1710 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.8830 HA :: 4.5840 HB1 :: 1.1000 HB2 :: 1.1000 HB3 :: 1.1000 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 129.0530 Ave N Shift Values>> N :: 123.23(3.7) 1.P71 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.38 V 0.28 I 0.16 C 0.08 W 0.04 R 0.01 C Shift Assignments>> C :: 168.3520(A) CA :: 63.5610 CB :: 30.7230 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HB2 :: 1.9780 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.T72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.93 C 0.06 C Shift Assignments>> C :: 173.5420 CA :: 62.8220 CB :: 71.0200 CG2 :: 22.1510 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.7230 HA :: 4.5730 HB :: 4.3570 HG21 :: 0.9460 HG22 :: 0.9460 HG23 :: 0.9460 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 105.0580 Ave N Shift Values>> N :: 115.7(5.05) 1.E73 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 M 0.37 Q 0.17 K 0.03 C Shift Assignments>> C :: 171.4200 CA :: 56.9990 CB :: 34.1280 CG :: 32.2450 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.3490 HA :: 5.5910 HB2 :: 2.1200 HB3 :: 1.8300 HG2 :: 2.2410 HG3 :: 2.1210 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 124.7620 Ave N Shift Values>> N :: 120.68(3.68) SRO Rule Breaks>> (CG > CB : 0.9917) 1.L74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 G 0.25 L 0.13 C Shift Assignments>> C :: 171.6390 CA :: 54.7700 CB :: 47.1580 CG :: 27.7160 CD1 :: 26.5730 CD2 :: 25.4540 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.6010 HA :: 5.2320 HB2 :: 2.0140 HB3 :: 1.9560 HG :: 1.6750 HD11 :: 0.7840 HD12 :: 0.7840 HD13 :: 0.7840 HD21 :: 0.9900 HD22 :: 0.9900 HD23 :: 0.9900 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 125.9080 Ave N Shift Values>> N :: 121.98(4.07) 1.S75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.66 T 0.33 C Shift Assignments>> C :: 171.9200 CA :: 56.3990 CB :: 67.0650 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.8550 HA :: 5.8240 HB2 :: 3.6760 HB3 :: 3.5870 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 116.5190 Ave N Shift Values>> N :: 116.3(3.95) 1.F76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.63 F 0.24 G 0.11 C Shift Assignments>> C :: 169.8590 CA :: 55.8890 CB :: 42.7870 CD1 :: 133.0770 CE1 :: 128.4710 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 9.3050 HA :: 5.4910 HB2 :: 3.2050 HB3 :: 3.0690 HD1 :: 6.8000 HE1 :: 6.6470 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 119.4030 Ave N Shift Values>> N :: 120.69(4.18) 1.E77 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.44 C 0.38 Q 0.09 K 0.05 E 0.01 R 0.01 C Shift Assignments>> C :: 171.8170 CA :: 55.8360 CB :: 32.0510 CG :: 32.0300 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.2660 HA :: 4.8140 HB2 :: 2.1850 HB3 :: 2.1350 HG2 :: 2.3990 HG3 :: 2.3270 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.3760 Ave N Shift Values>> N :: 120.68(3.68) SRO Rule Breaks>> (CG > CB : 0.9917) 1.W78 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.36 W 0.35 H 0.27 HN Overlap>> 1.E143 1.E143 1.W83 1.E144 1.W83 1.E144 C Shift Assignments>> C :: 175.1330 CA :: 56.3850 CB :: 29.7410 CD1 :: 124.4750 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 7.9180 HA :: 4.2460 HB2 :: 2.3870 HB3 :: 2.2110 HD1 :: 6.0350(S) Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 118.8930 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.D79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.29 R 0.22 K 0.13 D 0.13 C 0.1 F 0.06 G 0.02 N 0.01 C Shift Assignments>> C :: 175.2410 CA :: 55.1130 CB :: 42.7660 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.8340 HA :: 4.5400 HB2 :: 3.0180 HB3 :: 2.2670 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 128.0990 Ave N Shift Values>> N :: 120.73(4.2) 1.T80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.95 C 0.04 C Shift Assignments>> C :: 172.9370 CA :: 62.6910 CB :: 69.1170 CG2 :: 21.0180 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 9.6710 HA :: 4.4270 HB :: 3.3990 HG21 :: 1.6270 HG22 :: 1.6270 HG23 :: 1.6270 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 109.8030 Ave N Shift Values>> N :: 115.7(5.05) 1.E81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 E 0.39 M 0.07 K 0.05 I 0.05 Q 0.01 HN Overlap>> 1.I35 1.I35 C Shift Assignments>> C :: 173.3000 CA :: 55.8010 CB :: 30.0290 CG :: 36.9740 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.2570 HA :: 4.1000 HB2 :: 2.0220 HB3 :: 1.9060 HG2 :: 2.3850 HG3 :: 2.2090 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.5290 Ave N Shift Values>> N :: 120.68(3.68) 1.G82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.72 L 0.11 C 0.08 R 0.05 C Shift Assignments>> C :: 175.0650 CA :: 45.1080 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.7370 HA2 :: 4.4190 HA3 :: 3.4070 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.3790 Ave N Shift Values>> N :: 109.91(4.29) 1.W83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.16 E 0.14 R 0.13 C 0.13 H 0.11 Q 0.09 K 0.06 M 0.05 I 0.04 V 0.03 HN Overlap>> 1.W78 1.W78 1.E144 1.E144 C Shift Assignments>> CA :: 58.3690 CB :: 30.4690 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 7.9240 HA :: 4.4410 HB2 :: 2.8480 HB3 :: 2.5810 HZ2 :: 7.6860 HH2 :: 7.3300 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 118.7930 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.V84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.62 C 0.37 C Shift Assignments>> C :: 171.1010 CA :: 62.2800 CB :: 35.8590 CG1 :: 21.4800 CG2 :: 21.4710 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.8280 HA :: 4.4750 HB :: 2.1200 HG11 :: 0.9080 HG12 :: 0.9080 HG13 :: 0.9080 HG21 :: 1.2160 HG22 :: 1.2160 HG23 :: 1.2160 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 129.4810 Ave N Shift Values>> N :: 121.02(4.96) 1.V85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.77 C 0.22 C Shift Assignments>> C :: 174.6110 CA :: 62.7580 CB :: 32.7610 CG1 :: 21.2380 CG2 :: 20.9840 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.7960 HA :: 4.2380 HB :: 1.7600 HG11 :: 0.6890 HG12 :: 0.6890 HG13 :: 0.6890 HG21 :: 0.8420 HG22 :: 0.8420 HG23 :: 0.8420 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 128.8110 Ave N Shift Values>> N :: 121.02(4.96) 1.T86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.88 C 0.11 HN Overlap>> 1.R137 1.R137 C Shift Assignments>> C :: 169.9420 CA :: 61.0690 CB :: 71.6100 CG2 :: 21.1880 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.8650 HA :: 4.9090 HB :: 3.6900 HG21 :: 1.0320 HG22 :: 1.0320 HG23 :: 1.0320 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 118.2730 Ave N Shift Values>> N :: 115.7(5.05) 1.F87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.54 C 0.45 C Shift Assignments>> C :: 172.0540 CA :: 52.0440 CB :: 40.2490 CD1 :: 130.6680 CE1 :: 131.0350 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 9.1270 HA :: 5.2930 HB2 :: 3.1300 HB3 :: 3.0690 HD1 :: 7.0570 HE1 :: 7.3300 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 124.5890 Ave N Shift Values>> N :: 120.69(4.18) 1.Q88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.34 C 0.29 Q 0.19 E 0.1 K 0.05 C Shift Assignments>> C :: 172.1800 CA :: 54.3080 CB :: 31.5050 CG :: 34.0950 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.8000 HA :: 5.2610 HB2 :: 1.8370 HB3 :: 1.7170 HG2 :: 2.1550 HG3 :: 1.9970 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 120.2060 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.L89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 G 0.37 L 0.12 A 0.1 C Shift Assignments>> CA :: 55.4260 CB :: 44.5220 CG :: 28.4790 CD1 :: 21.8480 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.4180 HA :: 4.5780 HB2 :: 1.6110 HB3 :: 1.4710 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 126.9400 Ave N Shift Values>> N :: 121.98(4.07) 1.E90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 M 0.29 E 0.12 Q 0.01 HN Overlap>> 1.F44 1.F44 C Shift Assignments>> C :: 172.5280 CA :: 54.1780 CB :: 33.3910 CG :: 35.9260 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.1190 HA :: 4.4800 HB2 :: 1.6500 HB3 :: 1.4860 HG2 :: 1.9310 HG3 :: 2.0830 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.2320 Ave N Shift Values>> N :: 120.68(3.68) 1.D91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.18 C 0.13 N 0.12 F 0.11 K 0.1 R 0.01 C Shift Assignments>> C :: 173.0020 CA :: 54.6740 CB :: 40.7160 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.9030 HA :: 4.5090 HB2 :: 2.9820 HB3 :: 2.4780 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 126.4390 Ave N Shift Values>> N :: 120.73(4.2) 1.L92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.46 C 0.28 A 0.21 K 0.03 C Shift Assignments>> C :: 175.4670 CA :: 53.2340 CB :: 41.5950 CG :: 25.9830 CD1 :: 22.2350 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.7600 HA :: 4.7040 HB2 :: 1.5610 HB3 :: 1.3020 HG :: 0.7090 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 130.4250 Ave N Shift Values>> N :: 121.98(4.07) 1.G93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.7 C 0.21 L 0.03 A 0.01 P 0.01 C Shift Assignments>> C :: 171.4100 CA :: 47.2800 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.8670 HA2 :: 3.5330 HA3 :: 4.1920 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.9920 Ave N Shift Values>> N :: 109.91(4.29) 1.E94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 E 0.26 K 0.17 Q 0.17 M 0.06 I 0.03 R 0.01 C Shift Assignments>> C :: 171.6690 CA :: 56.9400 CB :: 29.4440 CG :: 35.1610 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.7780 HA :: 4.0620 HB2 :: 2.0830 HB3 :: 1.8370 HG2 :: 2.1900 HG3 :: 2.2790 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 126.8070 Ave N Shift Values>> N :: 120.68(3.68) 1.K95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 K 0.3 R 0.23 M 0.01 C Shift Assignments>> C :: 172.6920 CA :: 54.4100 CB :: 36.1060 CG :: 25.2640 CD :: 29.6680 CE :: 41.7790 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 6.9590 HA :: 4.8130 HB2 :: 1.1850 HG2 :: 1.4670 HD2 :: 1.6480 HE2 :: 2.8480 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 115.2980 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.T96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.87 C 0.12 C Shift Assignments>> C :: 171.7370 CA :: 62.4630 CB :: 72.6720 CG2 :: 21.0490 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.7940 HA :: 4.9340 HB :: 3.6440 HG21 :: 1.1130 HG22 :: 1.1130 HG23 :: 1.1130 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 116.1050 Ave N Shift Values>> N :: 115.7(5.05) 1.G97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.08 L 0.07 R 0.02 C Shift Assignments>> C :: 169.1040 CA :: 45.5470 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.5140 HA2 :: 4.5100 HA3 :: 3.7370 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 115.5300 Ave N Shift Values>> N :: 109.91(4.29) 1.F98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.48 C 0.4 G 0.1 C Shift Assignments>> C :: 170.8050 CA :: 57.4300 CB :: 43.0590 CD1 :: 130.6650 CE1 :: 130.6990 CZ :: 126.9840 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 9.1420 HA :: 5.2560 HB2 :: 2.9150 HB3 :: 2.3580 HD1 :: 6.5600 HE1 :: 6.6510 HZ :: 6.1700 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 129.0750 Ave N Shift Values>> N :: 120.69(4.18) 1.T99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 C Shift Assignments>> C :: 173.4860 CA :: 61.5640 CB :: 71.6060 CG2 :: 21.0250 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.5190 HA :: 4.9070 HB :: 3.6780 HG21 :: 0.8940 HG22 :: 0.8940 HG23 :: 0.8940 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 125.7920 Ave N Shift Values>> N :: 115.7(5.05) 1.L100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.62 L 0.21 C 0.11 A 0.03 C Shift Assignments>> C :: 172.6010 CA :: 52.1350 CB :: 45.3510 CG :: 27.5360 CD1 :: 25.0040 CD2 :: 23.2080 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.8260 HA :: 4.8810 HB2 :: 1.4590 HB3 :: 1.3960 HG :: 1.0640 HD11 :: -0.0800 HD12 :: -0.0800 HD13 :: -0.0800 HD21 :: -0.1130 HD22 :: -0.1130 HD23 :: -0.1130 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 129.2560 Ave N Shift Values>> N :: 121.98(4.07) 1.I101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.51 C 0.47 C Shift Assignments>> C :: 172.6820 CA :: 60.4990 CB :: 41.4610 CG1 :: 28.0020 CG2 :: 19.5870 CD1 :: 14.7990 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.9050 HA :: 4.9060 HB :: 1.5420 HG12 :: 1.2320 HG13 :: 0.9060 HG21 :: 0.7670 HG22 :: 0.7670 HG23 :: 0.7670 HD11 :: 0.6140 HD12 :: 0.6140 HD13 :: 0.6140 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 124.4900 Ave N Shift Values>> N :: 121.6(4.72) 1.H102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 W 0.26 H 0.18 C Shift Assignments>> C :: 173.0240 CA :: 53.4220 CB :: 32.8110 CD2 :: 124.2210 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 9.5760 HA :: 5.5760 HB2 :: 3.3620 HB3 :: 2.5990 HD1 :: 11.1820 HD2 :: 7.1390 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 131.4500 ND1 :: 119.4470 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.S103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.89 T 0.1 C Shift Assignments>> C :: 171.9230 CA :: 56.4280 CB :: 66.4090 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.7770 HA :: 5.1480 HB2 :: 4.0220 HB3 :: 3.5060 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 125.5520 Ave N Shift Values>> N :: 116.3(3.95) 1.G104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.08 L 0.07 R 0.01 C Shift Assignments>> C :: 173.2870 CA :: 45.6940 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.3260 HA2 :: 3.9530 HA3 :: 3.6440 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.9240 Ave N Shift Values>> N :: 109.91(4.29) 1.W105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.17 K 0.16 M 0.13 W 0.11 R 0.1 E 0.08 H 0.08 Q 0.07 V 0.05 C Shift Assignments>> CA :: 57.8540 CB :: 32.3440 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 8.4680 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 118.8270 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.K106 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.E107 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P108 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.N109 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.Q110 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.73 E 0.1 I 0.07 M 0.06 C Shift Assignments>> C :: 173.0720 CA :: 61.7510(A) CB :: 33.4040 CG :: 35.7640 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.8160 HA :: 4.5120 HB2 :: 1.7140 HG2 :: 2.2160 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 128.5310 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.V111 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.92 I 0.06 C Shift Assignments>> C :: 170.7070 CA :: 59.9570 CB :: 40.9790(A) CG1 :: 17.8770 CG2 :: 20.7180 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.5410 HA :: 4.4000 HB :: 1.7080 HG11 :: 0.7060 HG12 :: 0.7060 HG13 :: 0.7060 HG21 :: 1.0940 HG22 :: 1.0940 HG23 :: 1.0940 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 122.8490 Ave N Shift Values>> N :: 121.02(4.96) 1.I112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.9 C 0.09 C Shift Assignments>> CA :: 66.1480 CB :: 37.9270 CG1 :: 30.3430 CG2 :: 15.6290 CD1 :: 14.7560 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.4070 HA :: 4.0370 HB :: 1.8050 HG12 :: 1.5380 HG13 :: 0.9590 HG21 :: 0.8680 HG22 :: 0.8680 HG23 :: 0.8680 HD11 :: 0.6140 HD12 :: 0.6140 HD13 :: 0.6140 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 122.5420 Ave N Shift Values>> N :: 121.6(4.72) 1.G113 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.K114 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable C Shift Assignments>> C :: 170.6040 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) 1.A115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.65 M 0.3 C 0.02 C Shift Assignments>> CA :: 53.3300 CB :: 18.4050 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 6.3250 HA :: 3.5830 HB1 :: 1.2690 HB2 :: 1.2690 HB3 :: 1.2690 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 117.5920 Ave N Shift Values>> N :: 123.23(3.7) 1.N116 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.E117 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.K118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> K 0.36 C 0.36 R 0.14 M 0.05 Q 0.03 V 0.03 C Shift Assignments>> C :: 175.7220 CA :: 57.8050 CB :: 32.3380 CG :: 24.9200 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> HA :: 3.9960 HB2 :: 1.6790 HB3 :: 1.5300 HG2 :: 1.3640 HG3 :: 1.2910 HD2 :: 1.8670 HD3 :: 1.7800 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) 1.S119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.78 T 0.21 C Shift Assignments>> C :: 172.6950 CA :: 64.3750 CB :: 64.1830 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.7320 HA :: 4.2380 HB2 :: 3.8500 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 120.5680 Ave N Shift Values>> N :: 116.3(3.95) 1.S120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.25 T 0.2 V 0.19 P 0.06 F 0.06 C 0.06 S 0.04 W 0.04 E 0.01 R 0.01 K 0.01 C Shift Assignments>> C :: 174.0120 CA :: 61.4500 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.1040 HA :: 3.7720 HB2 :: 3.8550 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 114.2250 Ave N Shift Values>> N :: 116.3(3.95) 1.V121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.92 C 0.07 C Shift Assignments>> C :: 176.3050 CA :: 65.3840 CB :: 31.9320 CG1 :: 22.4910 CG2 :: 20.6280 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 6.9830 HA :: 3.7310 HB :: 2.3420 HG11 :: 1.0440 HG12 :: 1.0440 HG13 :: 1.0440 HG21 :: 0.9330 HG22 :: 0.9330 HG23 :: 0.9330 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 125.6920 Ave N Shift Values>> N :: 121.02(4.96) 1.V122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.95 C 0.04 C Shift Assignments>> C :: 175.1610 CA :: 66.8250 CB :: 32.4920 CG1 :: 22.3750 CG2 :: 23.3290 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.9610 HA :: 3.5650 HB :: 2.2400 HG11 :: 1.3670 HG12 :: 1.3670 HG13 :: 1.3670 HG21 :: 1.0350 HG22 :: 1.0350 HG23 :: 1.0350 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 121.7080 Ave N Shift Values>> N :: 121.02(4.96) 1.R123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.31 C 0.28 I 0.22 R 0.1 L 0.06 C Shift Assignments>> C :: 175.5700 CA :: 59.9170 CB :: 28.5310 CD :: 41.7110 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.8970 HA :: 4.1370 HB2 :: 2.1290 HB3 :: 2.0330 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 120.4900 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.G124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.6 C 0.25 P 0.05 A 0.03 L 0.02 N 0.01 C Shift Assignments>> C :: 174.3320 CA :: 47.5970 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.4200 HA2 :: 3.8490 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 104.5070 Ave N Shift Values>> N :: 109.91(4.29) 1.K125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.93 M 0.03 K 0.02 C Shift Assignments>> C :: 177.6710 CA :: 59.6220 CB :: 32.6640 CG :: 25.7790 CD :: 29.7370 CE :: 38.6300 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.6230 HA :: 4.1350 HB2 :: 2.0090 HB3 :: 1.9240 HG2 :: 1.4650 HG3 :: 1.6140 HD2 :: 1.7070 HE2 :: 2.9810 HE3 :: 2.8720 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 122.0540 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.M126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 M 0.23 Q 0.21 K 0.1 E 0.09 R 0.01 C Shift Assignments>> C :: 174.8820 CA :: 57.6350 CB :: 31.3430 CG :: 33.2140 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.6900 HA :: 4.4050 HB2 :: 2.0610 HG2 :: 2.7350 HG3 :: 2.5650 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 119.5380 Ave N Shift Values>> N :: 120.1(3.88) 1.D127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.24 D 0.21 K 0.19 C 0.11 F 0.09 R 0.09 N 0.04 C Shift Assignments>> C :: 175.9410 CA :: 55.0500 CB :: 41.7410 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.9210 HA :: 4.4420 HB2 :: 2.5790 HB3 :: 2.8640 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 122.9410 Ave N Shift Values>> N :: 120.73(4.2) 1.G128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.65 C 0.23 P 0.03 L 0.03 A 0.02 N 0.01 C Shift Assignments>> C :: 175.0640 CA :: 47.4540 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.4840 HA2 :: 4.0280 HA3 :: 4.6220 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 104.0820 Ave N Shift Values>> N :: 109.91(4.29) 1.G129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.69 C 0.22 L 0.03 A 0.01 P 0.01 C Shift Assignments>> C :: 174.5620 CA :: 47.3210 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.3950 HA2 :: 3.9640 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.3740 Ave N Shift Values>> N :: 109.91(4.29) 1.W130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 W 0.47 H 0.02 C Shift Assignments>> C :: 175.9430 CA :: 60.3110 CB :: 31.4280 CD1 :: 127.7850 CE3 :: 122.9360 CZ2 :: 112.9160 CZ3 :: 120.0360 CH2 :: 124.2210 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 9.4220 HA :: 5.0080 HB2 :: 3.4390 HB3 :: 3.2440 HD1 :: 7.1550 HE1 :: 10.1710 HE3 :: 7.3450 HZ2 :: 7.2750 HZ3 :: 6.5240 HH2 :: 7.1320 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 121.6500 NE1 :: 130.0750 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.T131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 C 0.01 C Shift Assignments>> C :: 173.2010 CA :: 68.3900 CB :: 68.9710 CG2 :: 22.5240 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.9560 HA :: 4.8970 HB :: 3.9010 HG21 :: 0.9710 HG22 :: 0.9710 HG23 :: 0.9710 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 115.8570 Ave N Shift Values>> N :: 115.7(5.05) 1.G132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.65 C 0.23 P 0.03 L 0.03 A 0.02 C Shift Assignments>> C :: 173.8760 CA :: 47.4500 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.5150 HA2 :: 4.2260 HA3 :: 4.0600 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.7210 Ave N Shift Values>> N :: 109.91(4.29) 1.I133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.66 C 0.15 G 0.1 F 0.07 C Shift Assignments>> C :: 174.0150 CA :: 66.3700 CB :: 41.7410 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.1350 HA :: 4.3220 HB :: 1.7740 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 123.4510 Ave N Shift Values>> N :: 121.6(4.72) 1.V134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.92 C 0.07 C Shift Assignments>> C :: 172.7820 CA :: 66.0730 CB :: 32.1210 CG1 :: 23.4510 CG2 :: 21.9400 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.5880 HA :: 3.6280 HB :: 2.0850 HG11 :: 1.1530 HG12 :: 1.1530 HG13 :: 1.1530 HG21 :: 0.7910 HG22 :: 0.7910 HG23 :: 0.7910 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 116.2910 Ave N Shift Values>> N :: 121.02(4.96) 1.N135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 F 0.21 N 0.18 D 0.17 L 0.06 E 0.04 I 0.04 M 0.01 C Shift Assignments>> C :: 173.3180 CA :: 55.7590 CB :: 38.8920 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.1150 HA :: 4.4030 HB2 :: 3.0730 HB3 :: 2.7480 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 111.8240 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.E136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 Q 0.23 M 0.19 K 0.14 E 0.12 R 0.01 C Shift Assignments>> CA :: 57.3220 CB :: 30.6640 CG :: 33.6710 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.8160 HA :: 4.6750 HB2 :: 2.1670 HB3 :: 2.2880 HG2 :: 2.1380 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 113.9060 Ave N Shift Values>> N :: 120.68(3.68) 1.R137 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.99 HN Overlap>> 1.T86 1.T86 C Shift Assignments>> C :: 176.9990 CA :: 61.1540 CB :: 29.8830 CG :: 29.7100 CD :: 35.9580(S) Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.8650 HA :: 4.0920 HB2 :: 2.9240(S) HB3 :: 2.2220 HG2 :: 2.0390 HG3 :: 2.1590 HD2 :: 3.6530 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 118.2730 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.L138 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> C 0.89 A 0.05 L 0.05 C Shift Assignments>> C :: 174.6820 CA :: 58.1730 CB :: 39.6240 CG :: 26.4140 CD1 :: 19.9160 CD2 :: 24.8490 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.3050 HA :: 3.4280 HB2 :: 1.8770 HG :: 0.3420(S) HD11 :: -1.2350(A) HD12 :: -1.2350(A) HD13 :: -1.2350(A) HD21 :: -1.0180(S) HD22 :: -1.0180(S) HD23 :: -1.0180(S) Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 124.2710 Ave N Shift Values>> N :: 121.98(4.07) 1.R139 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.63 K 0.26 R 0.09 C Shift Assignments>> C :: 174.8890 CA :: 60.0840 CB :: 30.2740 CG :: 29.6360 CD :: 40.8230 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 6.0040(S) HA :: 3.3940 HB2 :: 1.4440 HG2 :: 1.4610 HD2 :: 2.9920 HD3 :: 2.8610 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 114.7480 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.K140 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.84 M 0.1 K 0.03 R 0.01 C Shift Assignments>> C :: 175.4440 CA :: 59.1930 CB :: 32.3810 CG :: 25.4700 CD :: 32.3270 CE :: 39.7640 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.5770 HA :: 3.9320 HB2 :: 1.8260 HG2 :: 1.5180 HG3 :: 1.3780 HD2 :: 1.8220 HD3 :: 1.6310 HE2 :: 3.8390(S) Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 116.2160 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.A141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.49 M 0.44 C 0.03 I 0.01 C Shift Assignments>> C :: 176.6970 CA :: 54.5350 CB :: 18.6190 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.6680 HA :: 4.1120 HB1 :: 1.3720 HB2 :: 1.3720 HB3 :: 1.3720 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.5500 Ave N Shift Values>> N :: 123.23(3.7) 1.V142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.77 C 0.22 C Shift Assignments>> C :: 173.6630 CA :: 63.8180 CB :: 31.9320 CG1 :: 23.6820 CG2 :: 22.3200 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.5770 HA :: 3.8400 HB :: 1.8380 HG11 :: 0.7050 HG12 :: 0.7050 HG13 :: 0.7050 HG21 :: 0.6250 HG22 :: 0.6250 HG23 :: 0.6250 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 111.9630 Ave N Shift Values>> N :: 121.02(4.96) 1.E143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 E 0.35 I 0.19 K 0.03 M 0.02 HN Overlap>> 1.W78 1.E144 1.W78 1.E144 C Shift Assignments>> C :: 171.8160 CA :: 58.1940 CB :: 29.7870 CG :: 37.3640 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.9680 HA :: 4.0430 HB2 :: 1.9780 HB3 :: 2.0400 HG2 :: 2.4260 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 118.9750 Ave N Shift Values>> N :: 120.68(3.68) 1.E144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.15 Q 0.14 K 0.12 R 0.12 W 0.12 E 0.12 C 0.11 M 0.05 I 0.01 L 0.01 HN Overlap>> 1.E143 1.W78 1.W83 1.E143 1.W78 1.W83 C Shift Assignments>> C :: 175.2670 CA :: 55.7800 CB :: 29.6150 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.9180 HA :: 4.1530 HB2 :: 1.6050 HB3 :: 1.4890 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 118.8930 Ave N Shift Values>> N :: 120.68(3.68) 1.L145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.24 T 0.22 V 0.2 P 0.08 C 0.05 F 0.05 S 0.04 W 0.03 E 0.01 R 0.01 C Shift Assignments>> CA :: 61.7520 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.7870 HA :: 4.4590 HB2 :: 1.7140 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 123.5360 Ave N Shift Values>> N :: 121.98(4.07) 1.E146 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H147 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H148 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H149 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H150 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H151 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H152 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable ########################################################################### Overall Results: #Consistent: 138 #Clerical: 0 #Suspicious: 7 #Anomalous: 4 #Mistyped: 3 #Indeterminable: 0 Typing Results: #Consistent: 119 #Suspicious: 1 #Mistyped: 3 #Indeterminable: 29 Shift Relative Order (SRO) Results: #Consistent: 149 #Suspicious: 3 C Shift Results: #Consistent: 471 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 5 H Shift Results: #Consistent: 670 #Duplicate: 0 #Unknown: 0 #Suspicious: 12 #Anomalous: 4 N Shift Results: #Consistent: 119 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.I35 HD11 = -0.5120(S), Expected = 0.70, Std = 0.3000, ChiSquare = 5.3451e-05 1.I35 HD12 = -0.5120(S), Expected = 0.70, Std = 0.3000, ChiSquare = 5.3451e-05 1.I35 HD13 = -0.5120(S), Expected = 0.70, Std = 0.3000, ChiSquare = 5.3451e-05 1.Q45 Typing: Mistyped 1.Q45 CG = 40.4020(A), Expected = 33.72, Std = 1.1000, ChiSquare = 1.2434e-09 1.Q45 H = 5.6690(A), Expected = 8.22, Std = 0.6200, ChiSquare = 3.8799e-05 1.P62 Typing: Suspicious 1.P62 CG = 33.8140(A), Expected = 27.14, Std = 1.1800, ChiSquare = 1.5500e-08 1.P62 SRO Rule Break>> CB > CG : 0.993121238177128 1.C63 HB3 = 0.3610(S), Expected = 2.98, Std = 0.4500, ChiSquare = 5.8848e-09 1.P71 C = 168.3520(A), Expected = 176.70, Std = 1.6900, ChiSquare = 7.8265e-07 1.E73 SRO Rule Break>> CG > CB : 0.99165623696287 1.E77 SRO Rule Break>> CG > CB : 0.99165623696287 1.W78 HD1 = 6.0350(S), Expected = 7.16, Std = 0.3400, ChiSquare = 9.3689e-04 1.Q110 CA = 61.7510(A), Expected = 56.62, Std = 2.1900, ChiSquare = 1.9133e-02 1.V111 Typing: Mistyped 1.V111 CB = 40.9790(A), Expected = 32.66, Std = 1.9100, ChiSquare = 1.3277e-05 1.R137 Typing: Mistyped 1.R137 CD = 35.9580(S), Expected = 43.10, Std = 1.1000, ChiSquare = 8.4296e-11 1.R137 HB2 = 2.9240(S), Expected = 1.79, Std = 0.2800, ChiSquare = 5.1218e-05 1.L138 HG = 0.3420(S), Expected = 1.54, Std = 0.3300, ChiSquare = 2.8309e-04 1.L138 HD11 = -1.2350(A), Expected = 0.77, Std = 0.2700, ChiSquare = 1.1199e-13 1.L138 HD12 = -1.2350(A), Expected = 0.77, Std = 0.2700, ChiSquare = 1.1199e-13 1.L138 HD13 = -1.2350(A), Expected = 0.77, Std = 0.2700, ChiSquare = 1.1199e-13 1.L138 HD21 = -1.0180(S), Expected = 0.76, Std = 0.2800, ChiSquare = 2.1531e-10 1.L138 HD22 = -1.0180(S), Expected = 0.76, Std = 0.2800, ChiSquare = 2.1531e-10 1.L138 HD23 = -1.0180(S), Expected = 0.76, Std = 0.2800, ChiSquare = 2.1531e-10 1.R139 H = 6.0040(S), Expected = 8.24, Std = 0.6000, ChiSquare = 1.9403e-04 1.K140 HE2 = 3.8390(S), Expected = 2.93, Std = 0.2000, ChiSquare = 5.4935e-06