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.S2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 170.2470 CA :: 57.4570 CB :: 63.5250 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 4.4510 HB2 :: 3.9230 HB3 :: 3.7860 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) 1.V3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.59 C 0.4 C Shift Assignments>> C :: 173.4720 CA :: 61.5650 CB :: 34.5600 CG1 :: 20.8700 CG2 :: 21.3600 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 :: 8.8280 HA :: 4.1460 HB :: 1.9690 HG11 :: 0.6350 HG12 :: 0.6350 HG13 :: 0.6350 HG21 :: 0.6160 HG22 :: 0.6160 HG23 :: 0.6160 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.0940 Ave N Shift Values>> N :: 121.14(4.54) 1.K4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.55 C 0.38 R 0.05 C Shift Assignments>> C :: 175.7470 CA :: 55.1170 CB :: 32.2480 CG :: 24.4500 CD :: 29.0470 CE :: 41.3200 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 :: 8.6070 HA :: 4.7280 HB2 :: 1.6280 HB3 :: 1.8150 HG2 :: 0.9790 HG3 :: 1.0700 HD2 :: 1.5520 HD3 :: 1.4300 HE2 :: 2.9390 HE3 :: 2.9390 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 :: 129.2310 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 I 0.47 C Shift Assignments>> C :: 177.3230 CA :: 62.8370 CB :: 34.8570 CG1 :: 27.4250 CG2 :: 18.8230 CD1 :: 11.6810 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 :: 8.9360 HA :: 3.6180 HB :: 2.2140 HG12 :: 1.4540 HG13 :: 1.3190 HG21 :: 0.7140 HG22 :: 0.7140 HG23 :: 0.7140 HD11 :: 0.7470 HD12 :: 0.7470 HD13 :: 0.7470 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 :: 129.4910 Ave N Shift Values>> N :: 121.46(4.28) 1.G6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.77 L 0.13 C 0.03 R 0.02 F 0.01 C Shift Assignments>> C :: 170.9890 CA :: 45.0610 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.5480 HA2 :: 3.0590 HA3 :: 4.1370 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 116.4520 Ave N Shift Values>> N :: 109.67(3.87) 1.D7 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> N 0.58 D 0.2 C 0.07 L 0.04 F 0.04 Y 0.03 C Shift Assignments>> C :: 176.3320 CA :: 51.7310 CB :: 39.2430 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.8840 HA :: 4.7720 HB2 :: 1.7220(S) HB3 :: 3.0020 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 117.5580 Ave N Shift Values>> N :: 120.65(3.86) 1.I8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.7 C 0.29 C Shift Assignments>> C :: 177.5250 CA :: 64.2470 CB :: 39.0140 CG1 :: 29.2800 CG2 :: 19.8900 CD1 :: 13.6650 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.9750 HA :: 3.4670 HB :: 1.8070 HG12 :: 1.5500 HG13 :: 1.5500 HG21 :: 0.9070 HG22 :: 0.9070 HG23 :: 0.9070 HD11 :: 0.9070 HD12 :: 0.9070 HD13 :: 0.9070 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 :: 125.5840 Ave N Shift Values>> N :: 121.46(4.28) 1.D9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.38 D 0.24 F 0.09 Y 0.09 C 0.08 L 0.08 C Shift Assignments>> C :: 178.0740 CA :: 53.7360 CB :: 39.3650 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 :: 8.6070 HA :: 4.4600 HB2 :: 2.3780 HB3 :: 2.9930 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 116.0470 Ave N Shift Values>> N :: 120.65(3.86) 1.G10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.83 C 0.07 L 0.04 A 0.01 P 0.01 C Shift Assignments>> C :: 174.9810 CA :: 47.2710 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.3240 HA2 :: 3.6620 HA3 :: 3.8730 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.7270 Ave N Shift Values>> N :: 109.67(3.87) 1.N11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.6 C 0.11 D 0.1 Y 0.06 F 0.05 L 0.02 M 0.01 E 0.01 C Shift Assignments>> C :: 176.3560 CA :: 52.7440 CB :: 38.1640 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 :: 8.2920 HA :: 4.6000 HB2 :: 2.5850 HB3 :: 3.2990 HD21 :: 8.0560 HD22 :: 7.1310 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 :: 120.3320 ND2 :: 117.5900 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G12 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> C :: 173.1440 CA :: 45.4830 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 10.6010(S) HA2 :: 3.3240 HA3 :: 4.2990 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.6610 Ave N Shift Values>> N :: 109.67(3.87) 1.E13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.47 C 0.4 E 0.06 Q 0.05 HN Overlap>> 1.L60 1.L60 1.L92 1.L92 C Shift Assignments>> C :: 174.8630 CA :: 53.4530 CB :: 33.0710 CG :: 34.9570 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.6060 HA :: 4.7720 HB2 :: 1.8160 HB3 :: 1.9750 HG2 :: 2.1190 HG3 :: 2.1190 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 117.8630 Ave N Shift Values>> N :: 120.67(3.48) 1.I14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 I 0.49 C Shift Assignments>> C :: 175.1710 CA :: 60.2140 CB :: 35.8950 CG1 :: 27.8090 CG2 :: 18.4390 CD1 :: 12.2960 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 :: 9.4230 HA :: 4.8170 HB :: 2.0280 HG12 :: 1.0260 HG13 :: 1.2250 HG21 :: 0.8160 HG22 :: 0.8160 HG23 :: 0.8160 HD11 :: 0.5570 HD12 :: 0.5570 HD13 :: 0.5570 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 :: 128.4560 Ave N Shift Values>> N :: 121.46(4.28) 1.S15 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Suspicious N Shifts: Consistent PRTL>> T 0.98 S 0.01 C Shift Assignments>> C :: 175.0990 CA :: 56.9250 CB :: 69.0420(S) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 10.4190(S) HA :: 5.1320 HB2 :: 4.4510 HB3 :: 3.7850 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 126.0780 Ave N Shift Values>> N :: 116.28(3.52) 1.S16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.4600 CA :: 61.9290 CB :: 62.4370 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.2120 HA :: 4.0850 HB2 :: 4.0170 HB3 :: 4.0170 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.8590 Ave N Shift Values>> N :: 116.28(3.52) 1.I17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.82 C 0.17 C Shift Assignments>> C :: 177.5490 CA :: 64.2650 CB :: 37.4110 CG1 :: 28.5000 CG2 :: 17.7480 CD1 :: 11.8350 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 :: 8.0930 HA :: 3.9870 HB :: 1.6810 HG12 :: 1.3120 HG13 :: 1.5730 HG21 :: 0.9330 HG22 :: 0.9330 HG23 :: 0.9330 HD11 :: 0.8610 HD12 :: 0.8610 HD13 :: 0.8610 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 :: 124.5580 Ave N Shift Values>> N :: 121.46(4.28) 1.D18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.25 K 0.19 Y 0.19 C 0.11 I 0.08 L 0.08 R 0.03 D 0.02 C Shift Assignments>> C :: 177.1900 CA :: 59.1700 CB :: 41.5310 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.3980 HA :: 4.2900 HB2 :: 3.0690 HB3 :: 3.3340 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 :: 118.6200 Ave N Shift Values>> N :: 120.65(3.86) 1.Y19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.5 F 0.25 C 0.24 C Shift Assignments>> C :: 175.3550 CA :: 61.8620 CB :: 38.6640 CD1 :: 132.7310 CD2 :: 132.7310 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 :: 6.9500 HA :: 3.9210 HB2 :: 3.3310 HB3 :: 2.8320 HD1 :: 6.9920 HD2 :: 6.9920 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 116.1260 Ave N Shift Values>> N :: 120.52(4.2) 1.A20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.57 A 0.32 I 0.05 C 0.03 HN Overlap>> 1.L59 1.L59 C Shift Assignments>> C :: 181.3110 CA :: 55.5500 CB :: 18.1730 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.2610 HA :: 3.9520 HB1 :: 1.6590 HB2 :: 1.6590 HB3 :: 1.6590 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.2390 Ave N Shift Values>> N :: 123.23(3.54) 1.I21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.87 C 0.12 C Shift Assignments>> C :: 179.1830 CA :: 65.2700 CB :: 38.3140 CG1 :: 28.8070 CG2 :: 17.5500 CD1 :: 15.0720 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 :: 8.3840 HA :: 3.8000 HB :: 1.8920 HG12 :: 1.1000 HG13 :: 1.1000 HG21 :: 0.9940 HG22 :: 0.9940 HG23 :: 0.9940 HD11 :: 0.8050 HD12 :: 0.8050 HD13 :: 0.8050 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 118.7160 Ave N Shift Values>> N :: 121.46(4.28) 1.L22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.5 C 0.49 C Shift Assignments>> C :: 177.1270 CA :: 58.2830 CB :: 40.1200 CD1 :: 23.7110 CD2 :: 24.9000 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 :: 7.7970 HA :: 4.0370 HB2 :: 1.8480 HB3 :: 1.3960 HD11 :: 0.9200 HD12 :: 0.9200 HD13 :: 0.9200 HD21 :: 0.8670 HD22 :: 0.8670 HD23 :: 0.8670 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.1230 Ave N Shift Values>> N :: 121.86(3.9) 1.K23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 K 0.41 R 0.08 G 0.01 C Shift Assignments>> C :: 178.8140 CA :: 60.3870 CB :: 32.3850 CG :: 24.6390 CD :: 29.2370 CE :: 42.3670 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 :: 8.6550 HA :: 3.6230 HB2 :: 1.3330 HB3 :: 1.8130 HG2 :: 1.2890 HD2 :: 1.6620 HD3 :: 1.5590 HE2 :: 2.9860 HE3 :: 2.8630 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 :: 119.2150 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.8420 CA :: 61.2330 CB :: 63.0880 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.7510 HA :: 4.2120 HB2 :: 4.0450 HB3 :: 4.0450 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 :: 111.3070 Ave N Shift Values>> N :: 116.28(3.52) 1.H25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> R 0.17 H 0.17 C 0.14 M 0.14 E 0.12 Q 0.11 K 0.1 C Shift Assignments>> CA :: 55.6770 CB :: 30.9860 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>> HA :: 4.7730 HB2 :: 1.9950 HB3 :: 1.9950 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) 1.L26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 L 0.14 C 0.06 C Shift Assignments>> C :: 177.9230 CA :: 51.7700 CB :: 45.2480 CD1 :: 25.3500 CD2 :: 25.3500 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.0240 HA :: 4.2110 HB2 :: 0.7610 HB3 :: 1.2050 HD11 :: 0.3870 HD12 :: 0.3870 HD13 :: 0.3870 HD21 :: 0.3870 HD22 :: 0.3870 HD23 :: 0.3870 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.3630 Ave N Shift Values>> N :: 121.86(3.9) 1.I27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.8 C 0.19 C Shift Assignments>> C :: 176.2950 CA :: 63.3660 CB :: 38.2170 CG1 :: 27.9220 CG2 :: 17.4170 CD1 :: 12.9140 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.2780 HA :: 3.9760 HB :: 1.9340 HG12 :: 1.1220 HG13 :: 1.6720 HG21 :: 0.9070 HG22 :: 0.9070 HG23 :: 0.9070 HD11 :: 0.8380 HD12 :: 0.8380 HD13 :: 0.8380 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 118.6610 Ave N Shift Values>> N :: 121.46(4.28) 1.N28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.35 N 0.2 L 0.18 F 0.08 Y 0.06 C 0.05 K 0.04 C Shift Assignments>> C :: 173.4220 CA :: 53.5280 CB :: 40.7330 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 :: 7.9550 HA :: 4.7580 HB2 :: 2.6680 HB3 :: 2.6680 HD21 :: 7.6240 HD22 :: 6.9020 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 :: 118.0430 ND2 :: 113.8960 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.S29 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.N30 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.L31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> L 0.56 C 0.33 A 0.08 C Shift Assignments>> C :: 178.2480 CA :: 55.3320 CB :: 41.7600 CG :: 25.7000 CD1 :: 22.4300 CD2 :: 25.2200 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 :: 4.5340 HB2 :: 1.6420 HB3 :: 1.6420 HG :: 1.5520 HD11 :: 0.5840 HD12 :: 0.5840 HD13 :: 0.5840 HD21 :: 0.8120 HD22 :: 0.8120 HD23 :: 0.8120 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.T32 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 :: 175.2740 CA :: 61.0600 CB :: 70.5490 CG2 :: 21.5300 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 :: 8.7780 HA :: 4.2650 HB :: 4.5850 HG21 :: 1.2300 HG22 :: 1.2300 HG23 :: 1.2300 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 :: 112.0400 Ave N Shift Values>> N :: 115.42(4.75) 1.F33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.79 F 0.13 Y 0.07 C Shift Assignments>> C :: 179.7160 CA :: 57.8730 CB :: 35.4470 CD1 :: 130.1020 CD2 :: 130.1020 CE1 :: 131.0000 CE2 :: 131.0000 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 :: 8.7230 HA :: 4.6610 HB2 :: 3.6530 HB3 :: 3.0840 HD1 :: 7.2230 HD2 :: 7.2230 HE1 :: 7.0430 HE2 :: 7.0430 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 118.3130 Ave N Shift Values>> N :: 120.45(4.18) 1.K34 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 K 0.43 R 0.07 G 0.01 C Shift Assignments>> C :: 177.4260 CA :: 60.0460 CB :: 32.4580 CG :: 24.6390 CD :: 29.2350 CE :: 42.2730 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 :: 8.8400 HA :: 2.8290 HB2 :: 1.3950 HB3 :: 1.3950 HG2 :: 1.0050 HG3 :: 1.0050 HD2 :: 1.5590 HD3 :: 1.6620 HE2 :: 2.9910 HE3 :: 2.8630 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 :: 122.4110 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) SRO Rule Breaks>> (HA > HE2 : 0.9935) (HA > HE3 : 0.9935) 1.Q35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 E 0.2 Q 0.19 K 0.12 M 0.09 I 0.02 C Shift Assignments>> C :: 178.1990 CA :: 58.9580 CB :: 30.2500 CG :: 34.6750 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.1840 HA :: 3.8440 HB2 :: 2.3530 HB3 :: 1.6440 HG2 :: 2.8270 HG3 :: 2.7830 HE21 :: 6.9750 HE22 :: 6.8130 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 116.5470 NE2 :: 110.6130 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.44 C 0.4 R 0.1 G 0.03 C Shift Assignments>> C :: 177.5180 CA :: 57.8150 CB :: 42.7370 CG :: 26.2340 CD1 :: 24.3300 CD2 :: 26.4000 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 :: 8.4330 HA :: 3.6860 HB2 :: 1.0930 HB3 :: 1.0930 HG :: 1.6500 HD11 :: 0.6860 HD12 :: 0.6860 HD13 :: 0.6860 HD21 :: 0.9950 HD22 :: 0.9950 HD23 :: 0.9950 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.1200 Ave N Shift Values>> N :: 121.86(3.9) 1.A37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.68 A 0.25 I 0.04 C 0.01 C Shift Assignments>> C :: 179.8030 CA :: 55.2170 CB :: 17.1640 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.1720 HA :: 3.8660 HB1 :: 1.1840 HB2 :: 1.1840 HB3 :: 1.1840 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 117.8690 Ave N Shift Values>> N :: 123.23(3.54) 1.A38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.71 M 0.22 C 0.03 L 0.01 C Shift Assignments>> C :: 177.5830 CA :: 54.1710 CB :: 19.2160 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.2470 HA :: 3.7640 HB1 :: 1.2150 HB2 :: 1.2150 HB3 :: 1.2150 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 117.5940 Ave N Shift Values>> N :: 123.23(3.54) 1.A39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.86 L 0.05 C 0.04 M 0.02 C Shift Assignments>> C :: 175.6420 CA :: 52.4340 CB :: 20.6370 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.7850 HA :: 3.8580 HB1 :: 1.3560 HB2 :: 1.3560 HB3 :: 1.3560 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 117.6490 Ave N Shift Values>> N :: 123.23(3.54) 1.D40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.6 D 0.16 C 0.08 F 0.05 Y 0.04 L 0.03 C Shift Assignments>> C :: 177.8960 CA :: 52.2840 CB :: 38.7900 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 :: 6.7580 HA :: 4.8200 HB2 :: 2.6070 HB3 :: 2.4530 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 114.8580 Ave N Shift Values>> N :: 120.65(3.86) 1.V41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.8 C 0.19 HN Overlap>> 1.L55 1.L55 C Shift Assignments>> C :: 176.9640 CA :: 64.1370 CB :: 31.2030 CG1 :: 21.5600 CG2 :: 21.5600 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 :: 8.3920 HA :: 3.7490 HB :: 2.1150 HG11 :: 0.9070 HG12 :: 0.9070 HG13 :: 0.9070 HG21 :: 1.1320 HG22 :: 1.1320 HG23 :: 1.1320 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 122.5550 Ave N Shift Values>> N :: 121.14(4.54) 1.D42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.39 D 0.29 L 0.09 F 0.07 C 0.06 Y 0.06 HN Overlap>> 1.T122 1.T122 C Shift Assignments>> C :: 178.1930 CA :: 53.0020 CB :: 39.8000 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 :: 8.2980 HA :: 4.5850 HB2 :: 3.0680 HB3 :: 2.4350 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 117.1000 Ave N Shift Values>> N :: 120.65(3.86) 1.G43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.84 C 0.07 L 0.04 A 0.01 P 0.01 C Shift Assignments>> C :: 174.9040 CA :: 47.2450 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.4130 HA2 :: 3.8850 HA3 :: 3.7300 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.9940 Ave N Shift Values>> N :: 109.67(3.87) 1.N44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.64 C 0.13 D 0.06 Y 0.04 F 0.04 M 0.02 E 0.02 L 0.01 HN Overlap>> 1.N142 1.N142 C Shift Assignments>> C :: 176.0120 CA :: 52.2950 CB :: 37.6100 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 :: 8.1480 HA :: 4.6800 HB2 :: 2.7400 HB3 :: 3.4520 HD21 :: 8.0650 HD22 :: 7.0720 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 :: 118.8730 ND2 :: 116.5400 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> C :: 172.6960 CA :: 45.5210 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 10.4060 HA2 :: 3.2670 HA3 :: 4.1300 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.2720 Ave N Shift Values>> N :: 109.67(3.87) 1.Y46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.72 C 0.27 HN Overlap>> 1.Y90 1.A110 1.L92 1.Y90 1.A110 1.L92 C Shift Assignments>> C :: 174.8290 CA :: 57.1130 CB :: 41.7000 CD1 :: 133.6670 CD2 :: 133.6670 CE1 :: 118.2180 CE2 :: 118.2180 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.4830 HA :: 4.8970 HB2 :: 2.4510 HB3 :: 3.0710 HD1 :: 7.1260 HD2 :: 7.1260 HE1 :: 6.8980 HE2 :: 6.8980 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 :: 117.7020 Ave N Shift Values>> N :: 120.52(4.2) 1.V47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.56 C 0.43 C Shift Assignments>> C :: 175.3260 CA :: 62.5170 CB :: 31.2110 CG1 :: 23.2500 CG2 :: 22.4630 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 :: 10.1350 HA :: 4.7420 HB :: 2.0540 HG11 :: 0.8390 HG12 :: 0.8390 HG13 :: 0.8390 HG21 :: 0.8100 HG22 :: 0.8100 HG23 :: 0.8100 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 :: 128.2490 Ave N Shift Values>> N :: 121.14(4.54) 1.N48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.41 D 0.3 L 0.1 C 0.06 F 0.05 Y 0.04 C Shift Assignments>> C :: 176.1190 CA :: 52.3080 CB :: 40.0320 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 :: 10.1710 HA :: 4.9680 HB2 :: 3.4970 HB3 :: 3.0540 HD21 :: 7.9560 HD22 :: 7.0330 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 :: 127.7860 ND2 :: 113.6080 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.S49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.4180 CA :: 61.5330 CB :: 62.7510 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.6600 HA :: 4.1370 HB2 :: 4.0520 HB3 :: 4.0520 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 112.3960 Ave N Shift Values>> N :: 116.28(3.52) 1.I50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.82 C 0.17 HN Overlap>> 1.Y74 1.Y74 C Shift Assignments>> C :: 178.2230 CA :: 64.4540 CB :: 36.7960 CG1 :: 28.5780 CG2 :: 17.6980 CD1 :: 11.8830 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 :: 8.0790 HA :: 3.9750 HB :: 2.0050 HG12 :: 1.2160 HG13 :: 1.5470 HG21 :: 1.0100 HG22 :: 1.0100 HG23 :: 1.0100 HD11 :: 0.8630 HD12 :: 0.8630 HD13 :: 0.8630 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 :: 125.8750 Ave N Shift Values>> N :: 121.46(4.28) 1.D51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.25 Y 0.19 K 0.19 C 0.1 L 0.09 I 0.07 D 0.04 R 0.03 HN Overlap>> 1.A111 1.A111 C Shift Assignments>> C :: 177.7990 CA :: 58.7700 CB :: 41.3970 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.3080 HA :: 4.3660 HB2 :: 3.2640 HB3 :: 3.2640 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 :: 118.0900 Ave N Shift Values>> N :: 120.65(3.86) 1.L52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 L 0.38 R 0.04 G 0.01 C Shift Assignments>> C :: 177.5430 CA :: 58.6740 CB :: 42.1850 CG :: 26.0000 CD1 :: 22.6690 CD2 :: 25.7600 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 :: 7.0020 HA :: 4.0130 HB2 :: 1.2150 HB3 :: 2.1620 HG :: 1.7870 HD11 :: 0.8290 HD12 :: 0.8290 HD13 :: 0.8290 HD21 :: 0.8340 HD22 :: 0.8340 HD23 :: 0.8340 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 116.5060 Ave N Shift Values>> N :: 121.86(3.9) 1.A53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.54 A 0.38 I 0.03 C 0.02 C Shift Assignments>> C :: 180.8770 CA :: 55.2160 CB :: 18.1330 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.8970 HA :: 4.3430 HB1 :: 1.6610 HB2 :: 1.6610 HB3 :: 1.6610 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.3190 Ave N Shift Values>> N :: 123.23(3.54) 1.I54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.87 C 0.12 HN Overlap>> 1.Q143 1.Q143 C Shift Assignments>> C :: 179.0170 CA :: 65.5960 CB :: 38.4720 CG1 :: 29.2350 CG2 :: 17.8860 CD1 :: 15.0720 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 :: 8.3570 HA :: 3.8000 HB :: 1.8640 HG12 :: 1.1030 HG13 :: 1.1030 HG21 :: 0.9950 HG22 :: 0.9950 HG23 :: 0.9950 HD11 :: 0.9410 HD12 :: 0.9410 HD13 :: 0.9410 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 120.6240 Ave N Shift Values>> N :: 121.46(4.28) 1.L55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 L 0.26 R 0.23 G 0.01 HN Overlap>> 1.V41 1.V41 C Shift Assignments>> C :: 178.0650 CA :: 58.3670 CB :: 42.2780 CG :: 27.9220 CD1 :: 23.7010 CD2 :: 26.4000 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 :: 8.3020 HA :: 4.2570 HB2 :: 1.5980 HB3 :: 2.3820 HG :: 1.8480 HD11 :: 1.0290 HD12 :: 1.0290 HD13 :: 1.0290 HD21 :: 0.9950 HD22 :: 0.9950 HD23 :: 0.9950 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.5200 Ave N Shift Values>> N :: 121.86(3.9) 1.Q56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 K 0.25 Q 0.21 R 0.06 E 0.03 I 0.02 M 0.02 C Shift Assignments>> C :: 178.2790 CA :: 59.6160 CB :: 28.5910 CG :: 33.4560 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.7990 HA :: 3.7850 HB2 :: 2.3960 HB3 :: 2.3960 HG2 :: 2.0930 HG3 :: 2.0930 HE21 :: 7.1520 HE22 :: 6.7550 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.2420 NE2 :: 110.9140 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.M57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 M 0.43 C Shift Assignments>> C :: 178.7780 CA :: 58.8520 CB :: 32.4330 CG :: 32.4330 CE :: 17.5000 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.1440 HA :: 4.0300 HB2 :: 1.9900 HB3 :: 2.3710 HG2 :: 2.8250 HG3 :: 2.6790 HE1 :: 2.0710 HE2 :: 2.0710 HE3 :: 2.0710 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 :: 116.9670 Ave N Shift Values>> N :: 120.09(3.57) 1.Y58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.67 C 0.32 C Shift Assignments>> C :: 180.0920 CA :: 61.6080 CB :: 38.5640 CD1 :: 133.1100 CD2 :: 133.1100 CE1 :: 118.5890 CE2 :: 118.5890 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 :: 8.3620 HA :: 4.1240 HB2 :: 3.1460 HB3 :: 3.4240 HD1 :: 6.9610 HD2 :: 6.9610 HE1 :: 6.7290 HE2 :: 6.7290 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 :: 121.0650 Ave N Shift Values>> N :: 120.52(4.2) 1.L59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 L 0.3 R 0.05 A 0.01 HN Overlap>> 1.A20 1.A20 C Shift Assignments>> C :: 178.4870 CA :: 57.3300 CB :: 41.2740 CG :: 26.8900 CD1 :: 22.3880 CD2 :: 26.8900 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 :: 8.3310 HA :: 3.9870 HB2 :: 1.4810 HB3 :: 1.9950 HG :: 2.0330 HD11 :: 0.9260 HD12 :: 0.9260 HD13 :: 0.9260 HD21 :: 0.8630 HD22 :: 0.8630 HD23 :: 0.8630 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.2490 Ave N Shift Values>> N :: 121.86(3.9) 1.L60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.46 C 0.31 A 0.15 G 0.04 R 0.02 HN Overlap>> 1.E13 1.E13 C Shift Assignments>> C :: 177.4890 CA :: 54.8880 CB :: 42.6280 CG :: 25.4830 CD1 :: 22.2000 CD2 :: 25.4830 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 :: 7.6720 HA :: 4.3410 HB2 :: 1.7780 HB3 :: 1.6530 HG :: 1.7800 HD11 :: 0.8130 HD12 :: 0.8130 HD13 :: 0.8130 HD21 :: 0.8350 HD22 :: 0.8350 HD23 :: 0.8350 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 117.9480 Ave N Shift Values>> N :: 121.86(3.9) 1.G61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.06 C 0.03 C Shift Assignments>> C :: 175.2510 CA :: 46.1810 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.7770 HA2 :: 3.8350 HA3 :: 4.0850 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.8100 Ave N Shift Values>> N :: 109.67(3.87) 1.K62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.52 C 0.32 R 0.14 G 0.01 C Shift Assignments>> C :: 176.3250 CA :: 54.8340 CB :: 33.1010 CG :: 24.9200 CD :: 28.8600 CE :: 42.2730 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 :: 7.9770 HA :: 4.5460 HB2 :: 1.5830 HB3 :: 2.0280 HG2 :: 1.3530 HG3 :: 1.2900 HD2 :: 1.6680 HD3 :: 1.6310 HE2 :: 3.0000 HE3 :: 2.9540 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.9710 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> C :: 174.7520 CA :: 45.5900 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.4730 HA2 :: 3.8740 HA3 :: 4.1000 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.9490 Ave N Shift Values>> N :: 109.67(3.87) 1.G64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.08 C 0.02 C Shift Assignments>> C :: 174.5710 CA :: 45.4190 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.4370 HA2 :: 4.1000 HA3 :: 4.1000 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.3920 Ave N Shift Values>> N :: 109.67(3.87) 1.T65 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 :: 174.5440 CA :: 62.0350 CB :: 69.2520 CG2 :: 21.6700 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 :: 8.3040 HA :: 4.4920 HB :: 4.3120 HG21 :: 1.2270 HG22 :: 1.2270 HG23 :: 1.2270 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 114.9710 Ave N Shift Values>> N :: 115.42(4.75) 1.S66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.97 T 0.02 C Shift Assignments>> C :: 173.9270 CA :: 58.9410 CB :: 65.4090 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.3280 HA :: 4.5880 HB2 :: 3.9680 HB3 :: 3.9680 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 119.8430 Ave N Shift Values>> N :: 116.28(3.52) 1.D67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 L 0.2 N 0.14 F 0.09 Y 0.07 K 0.06 C 0.06 C Shift Assignments>> C :: 175.2880 CA :: 54.1390 CB :: 40.8480 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 :: 8.8180 HA :: 4.6870 HB2 :: 2.5440 HB3 :: 2.9430 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 :: 118.6810 Ave N Shift Values>> N :: 120.65(3.86) 1.I68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.64 C 0.35 C Shift Assignments>> C :: 177.0590 CA :: 64.3660 CB :: 36.8130 CG1 :: 30.4540 CG2 :: 16.8400 CD1 :: 15.0900 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.6690 HA :: 3.1150 HB :: 1.1210 HG12 :: 0.5730 HG13 :: 1.5910 HG21 :: -0.0050 HG22 :: -0.0050 HG23 :: -0.0050 HD11 :: 0.7450 HD12 :: 0.7450 HD13 :: 0.7450 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 118.8800 Ave N Shift Values>> N :: 121.46(4.28) 1.G69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.69 L 0.16 R 0.05 C 0.03 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 174.0430 CA :: 44.8600 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.1630 HA2 :: 3.1390 HA3 :: 4.3950 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 115.1410 Ave N Shift Values>> N :: 109.67(3.87) 1.K70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.37 C 0.33 R 0.27 G 0.01 C Shift Assignments>> C :: 175.1180 CA :: 56.0430 CB :: 33.3660 CG :: 25.8580 CD :: 29.5160 CE :: 42.4600 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 :: 8.0730 HA :: 4.3510 HB2 :: 1.9430 HB3 :: 1.8430 HG2 :: 1.3330 HG3 :: 1.3330 HD2 :: 1.6830 HD3 :: 1.5590 HE2 :: 3.0400 HE3 :: 3.0400 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.1190 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.51 D 0.22 C 0.07 L 0.06 F 0.05 Y 0.05 C Shift Assignments>> C :: 175.2690 CA :: 52.5270 CB :: 39.3100 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 :: 8.5560 HA :: 5.3080 HB2 :: 2.4610 HB3 :: 2.6610 HD21 :: 7.4420 HD22 :: 6.8740 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 :: 118.6450 ND2 :: 112.6600 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.R72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.46 C 0.37 G 0.11 K 0.04 C Shift Assignments>> C :: 175.2040 CA :: 55.3980 CB :: 32.2870 CG :: 27.0780 CD :: 43.6800 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 :: 9.0110 HA :: 4.4310 HB2 :: 1.6670 HB3 :: 1.5930 HG2 :: 1.5000 HG3 :: 1.4020 HD2 :: 3.1380 HD3 :: 3.0380 HE :: 7.1710 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 :: 125.5800 NE :: 85.0400 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.I73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.68 C 0.31 C Shift Assignments>> C :: 175.5170 CA :: 61.5510 CB :: 37.6170 CG1 :: 27.6400 CG2 :: 17.5200 CD1 :: 12.4400 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 :: 8.6030 HA :: 3.9850 HB :: 1.7300 HG12 :: 1.1770 HG13 :: 1.5000 HG21 :: 0.7690 HG22 :: 0.7690 HG23 :: 0.7690 HD11 :: 0.8140 HD12 :: 0.8140 HD13 :: 0.8140 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 :: 127.5020 Ave N Shift Values>> N :: 121.46(4.28) 1.Y74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.75 C 0.24 HN Overlap>> 1.I50 1.I50 C Shift Assignments>> C :: 174.8920 CA :: 57.7810 CB :: 41.8510 CD1 :: 132.6720 CD2 :: 132.6720 CE1 :: 118.1870 CE2 :: 118.1870 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 :: 8.0960 HA :: 4.4920 HB2 :: 2.5460 HB3 :: 2.5960 HD1 :: 6.8840 HD2 :: 6.8840 HE1 :: 6.6120 HE2 :: 6.6120 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 :: 125.9740 Ave N Shift Values>> N :: 120.52(4.2) 1.T75 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 :: 174.1440 CA :: 61.5720 CB :: 69.9380 CG2 :: 20.7800 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 :: 8.9630 HA :: 4.2000 HB :: 4.0060 HG21 :: 1.0590 HG22 :: 1.0590 HG23 :: 1.0590 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 121.6300 Ave N Shift Values>> N :: 115.42(4.75) 1.Y76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.57 C 0.42 C Shift Assignments>> C :: 175.6660 CA :: 60.6480 CB :: 37.4290 CD1 :: 132.6720 CD2 :: 132.6720 CE1 :: 119.0920 CE2 :: 119.0920 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 :: 8.0400 HA :: 4.0000 HB2 :: 2.7160 HB3 :: 2.5640 HD1 :: 6.8390 HD2 :: 6.8390 HE1 :: 6.3900 HE2 :: 6.3900 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 :: 127.3000 Ave N Shift Values>> N :: 120.52(4.2) 1.G77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.83 L 0.09 C 0.02 R 0.01 C Shift Assignments>> C :: 171.0930 CA :: 45.2790 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.1740 HA2 :: 3.2770 HA3 :: 4.1150 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.2850 Ave N Shift Values>> N :: 109.67(3.87) 1.D78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.54 D 0.22 C 0.07 L 0.05 F 0.04 Y 0.04 C Shift Assignments>> C :: 176.3370 CA :: 51.9140 CB :: 39.4200 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.9190 HA :: 4.8020 HB2 :: 3.1800 HB3 :: 3.1800 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 117.4260 Ave N Shift Values>> N :: 120.65(3.86) 1.I79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.71 C 0.28 C Shift Assignments>> C :: 177.1010 CA :: 64.3940 CB :: 39.0270 CG1 :: 29.2100 CG2 :: 19.9700 CD1 :: 13.5710 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 :: 8.2790 HA :: 3.4840 HB :: 1.8010 HG12 :: 1.7270 HG13 :: 1.6760 HG21 :: 0.9070 HG22 :: 0.9070 HG23 :: 0.9070 HD11 :: 0.9070 HD12 :: 0.9070 HD13 :: 0.9070 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 :: 127.0910 Ave N Shift Values>> N :: 121.46(4.28) 1.D80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.44 D 0.22 C 0.08 F 0.08 Y 0.07 L 0.06 HN Overlap>> 1.A106 1.A106 C Shift Assignments>> C :: 176.3100 CA :: 53.4050 CB :: 39.2060 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 :: 8.1910 HA :: 4.3620 HB2 :: 2.3000 HB3 :: 3.0070 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 116.2980 Ave N Shift Values>> N :: 120.65(3.86) 1.N81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.35 C 0.18 Y 0.12 F 0.09 E 0.09 D 0.06 M 0.04 L 0.01 I 0.01 C Shift Assignments>> C :: 174.7360 CA :: 54.5140 CB :: 37.6040 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 :: 7.3680 HA :: 4.4000 HB2 :: 2.4610 HB3 :: 3.1160 HD21 :: 7.4760 HD22 :: 6.6570 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 :: 115.4020 ND2 :: 112.2400 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.N82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.65 C 0.1 D 0.09 Y 0.04 F 0.04 L 0.01 M 0.01 E 0.01 C Shift Assignments>> C :: 176.9690 CA :: 52.1750 CB :: 38.0970 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 :: 8.6330 HA :: 4.8040 HB2 :: 2.5840 HB3 :: 3.2570 HD21 :: 7.8720 HD22 :: 7.1910 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 :: 117.9860 ND2 :: 116.4560 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.08 C 0.02 C Shift Assignments>> C :: 173.3010 CA :: 45.3900 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 10.3960 HA2 :: 3.4610 HA3 :: 4.1920 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.9490 Ave N Shift Values>> N :: 109.67(3.87) 1.I84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 I 0.41 G 0.02 C Shift Assignments>> C :: 174.1010 CA :: 59.1020 CB :: 42.3660 CG1 :: 26.9840 CG2 :: 17.5100 CD1 :: 13.7590 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.4170 HA :: 4.5390 HB :: 1.6380 HG12 :: 1.3040 HG13 :: 0.9150 HG21 :: 0.8200 HG22 :: 0.8200 HG23 :: 0.8200 HD11 :: 0.8430 HD12 :: 0.8430 HD13 :: 0.8430 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 117.3300 Ave N Shift Values>> N :: 121.46(4.28) 1.V85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.56 C 0.43 C Shift Assignments>> C :: 174.7120 CA :: 61.5220 CB :: 30.6640 CG1 :: 21.1000 CG2 :: 20.5100 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 :: 8.9050 HA :: 4.8640 HB :: 2.0920 HG11 :: 0.8050 HG12 :: 0.8050 HG13 :: 0.8050 HG21 :: 0.9790 HG22 :: 0.9790 HG23 :: 0.9790 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 :: 130.6570 Ave N Shift Values>> N :: 121.14(4.54) 1.D86 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.31 D 0.25 R 0.16 K 0.07 C 0.04 G 0.04 N 0.03 F 0.03 Y 0.02 C Shift Assignments>> C :: 176.7320 CA :: 52.7690 CB :: 42.7760 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 :: 10.3450(S) HA :: 4.7620 HB2 :: 3.2680 HB3 :: 3.2680 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 :: 130.1800 Ave N Shift Values>> N :: 120.65(3.86) 1.E87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 Q 0.23 K 0.22 E 0.12 I 0.04 R 0.02 M 0.01 HN Overlap>> 1.F109 1.F109 C Shift Assignments>> C :: 177.8100 CA :: 58.9100 CB :: 28.8140 CG :: 34.3940 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 :: 8.6830 HA :: 4.1400 HB2 :: 2.1670 HB3 :: 2.0690 HG2 :: 2.5350 HG3 :: 2.4610 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 116.2830 Ave N Shift Values>> N :: 120.67(3.48) 1.N88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.27 F 0.23 C 0.19 I 0.07 N 0.06 D 0.05 E 0.05 L 0.03 M 0.01 C Shift Assignments>> C :: 178.2700 CA :: 56.9590 CB :: 38.4080 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 :: 8.4700 HA :: 4.6000 HB2 :: 2.6530 HB3 :: 2.8350 HD21 :: 8.0950 HD22 :: 7.0840 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 :: 117.4970 ND2 :: 115.9640 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.D89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.24 F 0.2 Y 0.14 L 0.12 R 0.1 C 0.09 I 0.04 D 0.04 C Shift Assignments>> C :: 177.3870 CA :: 58.6030 CB :: 42.0150 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.6400 HA :: 4.4160 HB2 :: 3.2460 HB3 :: 3.2460 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 :: 118.3790 Ave N Shift Values>> N :: 120.65(3.86) 1.Y90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.66 C 0.33 HN Overlap>> 1.Y46 1.Y46 1.A110 1.L92 1.A110 1.L92 C Shift Assignments>> C :: 177.4000 CA :: 61.2570 CB :: 38.6520 CD1 :: 132.1600 CD2 :: 132.1600 CE1 :: 118.5000 CE2 :: 118.5000 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.4840 HA :: 4.1850 HB2 :: 2.9270 HB3 :: 3.3420 HD1 :: 6.9860 HD2 :: 6.9860 HE1 :: 6.7410 HE2 :: 6.7410 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 :: 117.6960 Ave N Shift Values>> N :: 120.52(4.2) 1.I91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.87 C 0.12 C Shift Assignments>> C :: 177.8120 CA :: 65.1550 CB :: 38.0100 CG1 :: 29.2350 CG2 :: 17.4700 CD1 :: 13.1000 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 :: 8.6890 HA :: 3.5150 HB :: 1.9460 HG12 :: 1.8660 HG13 :: 1.3230 HG21 :: 0.9100 HG22 :: 0.9100 HG23 :: 0.9100 HD11 :: 0.9410 HD12 :: 0.9410 HD13 :: 0.9410 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 :: 121.6690 Ave N Shift Values>> N :: 121.46(4.28) 1.L92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 L 0.38 R 0.01 HN Overlap>> 1.Y46 1.Y90 1.E13 1.Y46 1.Y90 1.E13 C Shift Assignments>> C :: 180.8380 CA :: 58.3610 CB :: 41.4120 CG :: 26.0460 CD1 :: 22.6690 CD2 :: 26.0460 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 :: 7.5320 HA :: 4.0460 HB2 :: 1.2920 HB3 :: 2.1230 HG :: 2.0030 HD11 :: 0.8880 HD12 :: 0.8880 HD13 :: 0.8880 HD21 :: 0.8880 HD22 :: 0.8880 HD23 :: 0.8880 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 117.7950 Ave N Shift Values>> N :: 121.86(3.9) 1.I93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.55 C 0.44 C Shift Assignments>> C :: 176.9090 CA :: 65.3000 CB :: 37.3130 CG1 :: 30.9230 CG2 :: 16.3500 CD1 :: 15.6300 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.8760 HA :: 4.0150 HB :: 1.8140 HG12 :: 1.4670 HG13 :: 1.2210 HG21 :: 1.1230 HG22 :: 1.1230 HG23 :: 1.1230 HD11 :: 0.9440 HD12 :: 0.9440 HD13 :: 0.9440 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 119.2960 Ave N Shift Values>> N :: 121.46(4.28) 1.C94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.5 I 0.38 C 0.09 C Shift Assignments>> C :: 177.0540 CA :: 64.6660 CB :: 26.2580 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.1070 HA :: 3.8250 HB2 :: 2.4460 HB3 :: 2.8690 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 122.2300 Ave N Shift Values>> N :: 120.17(4.64) 1.N95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.22 E 0.21 N 0.19 Y 0.1 M 0.1 F 0.06 K 0.02 D 0.01 I 0.01 C Shift Assignments>> C :: 177.1260 CA :: 54.9410 CB :: 36.7590 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 :: 8.4470 HA :: 4.4160 HB2 :: 2.5840 HB3 :: 2.8650 HD21 :: 7.6530 HD22 :: 6.7130 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 :: 118.4890 ND2 :: 110.2290 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.H96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 V 0.19 R 0.1 K 0.1 E 0.08 H 0.07 M 0.06 Q 0.03 P 0.03 I 0.01 C Shift Assignments>> C :: 179.6220 CA :: 60.0640 CB :: 31.7060 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 7.4990 HA :: 4.3540 HB2 :: 3.3140 HB3 :: 3.0980 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 :: 121.3190 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.I97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.75 C 0.24 C Shift Assignments>> C :: 177.8860 CA :: 64.6420 CB :: 38.3430 CG1 :: 30.0790 CG2 :: 17.0410 CD1 :: 15.2590 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 :: 8.2080 HA :: 3.7380 HB :: 1.8690 HG12 :: 1.8000 HG13 :: 1.0900 HG21 :: 0.9420 HG22 :: 0.9420 HG23 :: 0.9420 HD11 :: 0.7530 HD12 :: 0.7530 HD13 :: 0.7530 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 120.7090 Ave N Shift Values>> N :: 121.46(4.28) 1.N98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.53 D 0.12 C 0.11 Y 0.08 F 0.07 L 0.03 E 0.01 M 0.01 C Shift Assignments>> C :: 176.0620 CA :: 53.3610 CB :: 38.3110 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 :: 8.3320 HA :: 4.6390 HB2 :: 2.9460 HB3 :: 2.9460 HD21 :: 7.3670 HD22 :: 6.4630 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 :: 115.6360 ND2 :: 109.6080 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.06 C 0.03 C Shift Assignments>> C :: 175.0430 CA :: 46.0150 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.6370 HA2 :: 3.8620 HA3 :: 4.1700 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.7840 Ave N Shift Values>> N :: 109.67(3.87) 1.T100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.89 C 0.1 C Shift Assignments>> C :: 174.9050 CA :: 61.8470 CB :: 68.9430 CG2 :: 21.6640 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 :: 8.4470 HA :: 4.3610 HB :: 4.3190 HG21 :: 1.0850 HG22 :: 1.0850 HG23 :: 1.0850 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 :: 112.0540 Ave N Shift Values>> N :: 115.42(4.75) 1.G101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.07 C 0.03 C Shift Assignments>> C :: 171.9830 CA :: 45.9920 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.5340 HA2 :: 3.6310 HA3 :: 4.0770 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.8170 Ave N Shift Values>> N :: 109.67(3.87) 1.Q102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.3 C 0.24 M 0.21 K 0.15 E 0.07 C Shift Assignments>> C :: 177.1850 CA :: 55.6550 CB :: 30.4540 CG :: 33.8310 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.5210 HA :: 4.7540 HB2 :: 2.0000 HB3 :: 2.0000 HG2 :: 2.4530 HG3 :: 2.3940 HE21 :: 7.6180 HE22 :: 6.8470 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 124.1150 NE2 :: 112.1140 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L103 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.68 C 0.28 R 0.02 A 0.01 C Shift Assignments>> C :: 177.1680 CA :: 54.9430 CB :: 41.4720 CG :: 26.5340 CD1 :: 23.9700 CD2 :: 25.8200 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 :: 11.0600(S) HA :: 4.2540 HB2 :: 1.3040 HB3 :: 1.1960 HG :: 1.6580 HD11 :: 0.7510 HD12 :: 0.7510 HD13 :: 0.7510 HD21 :: 0.2170 HD22 :: 0.2170 HD23 :: 0.2170 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 :: 131.2720 Ave N Shift Values>> N :: 121.86(3.9) 1.S104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.4460 CA :: 57.6990 CB :: 62.8050 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.5680 HA :: 4.0220 HB2 :: 3.4150 HB3 :: 3.6690 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 117.6030 Ave N Shift Values>> N :: 116.28(3.52) 1.D105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.24 F 0.18 L 0.17 Y 0.13 D 0.09 C 0.07 R 0.06 I 0.02 C Shift Assignments>> C :: 177.5080 CA :: 57.4120 CB :: 41.6810 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 :: 6.7030 HA :: 4.2730 HB2 :: 2.6260 HB3 :: 2.7200 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 :: 120.0900 Ave N Shift Values>> N :: 120.65(3.86) 1.A106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.83 M 0.12 C 0.02 L 0.01 HN Overlap>> 1.D80 1.D80 C Shift Assignments>> C :: 176.9610 CA :: 53.2940 CB :: 19.4580 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.1430 HA :: 3.9540 HB1 :: 1.3760 HB2 :: 1.3760 HB3 :: 1.3760 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 116.3940 Ave N Shift Values>> N :: 123.23(3.54) 1.S107 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 :: 174.5000 CA :: 59.6280 CB :: 64.9590 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.7190 HA :: 4.6850 HB2 :: 3.9540 HB3 :: 3.8070 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 113.4420 Ave N Shift Values>> N :: 116.28(3.52) 1.L108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.62 L 0.36 C Shift Assignments>> C :: 178.0440 CA :: 58.2170 CB :: 39.3660 CG :: 25.7650 CD1 :: 23.3260 CD2 :: 23.0250 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 :: 6.7740 HA :: 3.2690 HB2 :: 1.2350 HB3 :: 1.2350 HG :: 0.7550 HD11 :: 0.1910 HD12 :: 0.1910 HD13 :: 0.1910 HD21 :: 0.2020 HD22 :: 0.2020 HD23 :: 0.2020 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.7980 Ave N Shift Values>> N :: 121.86(3.9) 1.F109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.64 C 0.35 HN Overlap>> 1.E87 1.E87 C Shift Assignments>> C :: 176.7020 CA :: 60.0200 CB :: 38.9050 CD1 :: 131.2560 CD2 :: 131.2560 CE1 :: 130.5120 CE2 :: 130.5120 CZ :: 130.7000 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.7560 HA :: 4.2730 HB2 :: 2.8390 HB3 :: 2.8390 HD1 :: 7.0300 HD2 :: 7.0300 HE1 :: 6.5650 HE2 :: 6.5650 HZ :: 7.0270 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 :: 116.2660 Ave N Shift Values>> N :: 120.45(4.18) 1.A110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.73 M 0.2 C 0.03 L 0.01 HN Overlap>> 1.Y46 1.Y90 1.Y46 1.Y90 C Shift Assignments>> C :: 178.1060 CA :: 54.0250 CB :: 19.2400 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.4240 HA :: 3.7770 HB1 :: 1.3530 HB2 :: 1.3530 HB3 :: 1.3530 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 117.6290 Ave N Shift Values>> N :: 123.23(3.54) 1.A111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.87 M 0.06 C 0.03 L 0.02 HN Overlap>> 1.D51 1.D51 C Shift Assignments>> C :: 174.6730 CA :: 52.8180 CB :: 20.0100 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.2990 HA :: 3.8380 HB1 :: 1.1450 HB2 :: 1.1450 HB3 :: 1.1450 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.0110 Ave N Shift Values>> N :: 123.23(3.54) 1.D112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.49 D 0.22 C 0.07 L 0.06 F 0.06 Y 0.05 C Shift Assignments>> C :: 176.8030 CA :: 52.7940 CB :: 39.2950 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 :: 6.9390 HA :: 4.6770 HB2 :: 2.7840 HB3 :: 3.1380 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 :: 113.2360 Ave N Shift Values>> N :: 120.65(3.86) 1.A113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.64 L 0.17 C 0.09 M 0.05 V 0.02 C Shift Assignments>> C :: 175.9200 CA :: 54.2940 CB :: 20.8550 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.3130 HA :: 3.7690 HB1 :: 1.4920 HB2 :: 1.4920 HB3 :: 1.4920 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 131.8000 Ave N Shift Values>> N :: 123.23(3.54) 1.D114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.44 D 0.29 L 0.09 C 0.06 F 0.05 Y 0.04 C Shift Assignments>> C :: 178.3330 CA :: 52.1450 CB :: 39.9310 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.9820 HA :: 4.4620 HB2 :: 2.1610 HB3 :: 2.9540 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 :: 110.9960 Ave N Shift Values>> N :: 120.65(3.86) 1.G115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.52 P 0.18 C 0.1 A 0.09 N 0.03 L 0.02 C Shift Assignments>> C :: 174.2510 CA :: 47.9750 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.4450 HA2 :: 3.7620 HA3 :: 3.7620 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.5740 Ave N Shift Values>> N :: 109.67(3.87) 1.N116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.66 C 0.11 D 0.08 Y 0.04 F 0.04 L 0.01 M 0.01 E 0.01 C Shift Assignments>> C :: 176.0610 CA :: 52.0650 CB :: 37.9580 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 :: 8.0510 HA :: 4.6710 HB2 :: 3.2400 HB3 :: 2.4900 HD21 :: 7.7070 HD22 :: 7.2290 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 :: 118.6740 ND2 :: 114.8660 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.N117 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> N 0.21 Y 0.19 C 0.17 F 0.16 D 0.09 E 0.05 L 0.03 I 0.02 M 0.02 C Shift Assignments>> C :: 173.2120 CA :: 55.5050 CB :: 38.2190 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 :: 10.9120(S) HA :: 3.1070(S) HB2 :: 2.6530 HB3 :: 2.4380 HD21 :: 7.2990 HD22 :: 6.7700 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 119.5940 ND2 :: 114.6900 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 V 0.41 C Shift Assignments>> C :: 174.8020 CA :: 61.4170 CB :: 36.3230 CG1 :: 21.1680 CG2 :: 21.1680 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 :: 7.4480 HA :: 4.3230 HB :: 1.8460 HG11 :: 0.8630 HG12 :: 0.8630 HG13 :: 0.8630 HG21 :: 0.8630 HG22 :: 0.8630 HG23 :: 0.8630 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 :: 115.0020 Ave N Shift Values>> N :: 121.14(4.54) 1.I119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.87 I 0.06 A 0.04 C Shift Assignments>> C :: 175.2120 CA :: 57.6150 CB :: 34.7730 CG1 :: 26.7030 CG2 :: 17.3700 CD1 :: 10.0900 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 :: 9.3320 HA :: 5.3000 HB :: 2.1850 HG12 :: 1.5280 HG13 :: 0.8340 HG21 :: 0.7710 HG22 :: 0.7710 HG23 :: 0.7710 HD11 :: 0.5810 HD12 :: 0.5810 HD13 :: 0.5810 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 :: 129.6830 Ave N Shift Values>> N :: 121.46(4.28) 1.D120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 D 0.28 R 0.12 K 0.09 N 0.05 C 0.04 F 0.04 Y 0.02 G 0.02 C Shift Assignments>> C :: 176.6350 CA :: 52.8270 CB :: 42.4770 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 :: 10.1500 HA :: 4.7460 HB2 :: 2.7000 HB3 :: 3.3080 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 :: 130.8910 Ave N Shift Values>> N :: 120.65(3.86) 1.Q121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 K 0.27 Q 0.19 R 0.13 M 0.03 C Shift Assignments>> C :: 177.5100 CA :: 58.8600 CB :: 28.3150 CG :: 32.7990 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.2900 HA :: 4.0620 HB2 :: 2.2660 HB3 :: 2.1530 HG2 :: 2.5760 HG3 :: 2.5150 HE21 :: 7.5620 HE22 :: 6.9990 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 113.8060 NE2 :: 112.2110 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.T122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.93 C 0.06 HN Overlap>> 1.D42 1.D42 C Shift Assignments>> C :: 176.2660 CA :: 67.2170 CB :: 67.7670 CG2 :: 22.6000 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 :: 8.2350 HA :: 3.9220 HB :: 4.2410 HG21 :: 1.2160 HG22 :: 1.2160 HG23 :: 1.2160 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 :: 117.1150 Ave N Shift Values>> N :: 115.42(4.75) 1.D123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.23 K 0.21 Y 0.17 C 0.11 L 0.08 I 0.07 R 0.06 D 0.02 C Shift Assignments>> C :: 177.3850 CA :: 59.3070 CB :: 41.8300 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.5030 HA :: 4.3820 HB2 :: 3.0470 HB3 :: 3.2480 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 :: 119.3450 Ave N Shift Values>> N :: 120.65(3.86) 1.R124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 R 0.34 G 0.15 C Shift Assignments>> C :: 177.4720 CA :: 60.4480 CB :: 29.9880 CG :: 27.0900 CD :: 43.7740 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 :: 7.1290 HA :: 3.8930 HB2 :: 1.5860 HB3 :: 1.5860 HG2 :: 1.8490 HG3 :: 1.8110 HD2 :: 3.0460 HD3 :: 3.0460 HE :: 7.4300 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 117.1560 NE :: 82.8800 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.I125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.87 C 0.12 C Shift Assignments>> CA :: 64.8800 CB :: 38.3000 CG1 :: 28.2400 CG2 :: 17.4300 CD1 :: 14.7800 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 :: 8.4560 HA :: 3.7930 HB :: 1.9490 HG12 :: 1.2190 HG13 :: 1.6530 HG21 :: 0.9950 HG22 :: 0.9950 HG23 :: 0.9950 HD11 :: 0.6860 HD12 :: 0.6860 HD13 :: 0.6860 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 119.8020 Ave N Shift Values>> N :: 121.46(4.28) 1.L126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.55 L 0.38 R 0.03 G 0.02 C Shift Assignments>> C :: 179.1140 CA :: 58.4110 CB :: 42.3700 CG :: 25.9000 CD1 :: 22.3500 CD2 :: 25.5000 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 :: 4.0050 HB2 :: 2.0700 HB3 :: 2.1400 HG :: 1.7800 HD11 :: 0.8250 HD12 :: 0.8250 HD13 :: 0.8250 HD21 :: 0.8300 HD22 :: 0.8300 HD23 :: 0.8300 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) 1.I127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.84 C 0.15 HN Overlap>> 1.N142 1.N142 C Shift Assignments>> C :: 177.6120 CA :: 66.1420 CB :: 37.2110 CG1 :: 30.2670 CG2 :: 17.2290 CD1 :: 13.1000 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 :: 8.1820 HA :: 3.7950 HB :: 2.1930 HG12 :: 1.2210 HG13 :: 1.2210 HG21 :: 1.0690 HG22 :: 1.0690 HG23 :: 1.0690 HD11 :: 1.0050 HD12 :: 1.0050 HD13 :: 1.0050 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 118.7270 Ave N Shift Values>> N :: 121.46(4.28) 1.E128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 K 0.18 Q 0.18 E 0.15 I 0.06 M 0.01 R 0.01 C Shift Assignments>> C :: 179.8320 CA :: 59.8090 CB :: 29.2300 CG :: 34.5810 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 :: 8.5280 HA :: 3.6440 HB2 :: 2.2030 HB3 :: 2.2030 HG2 :: 2.0240 HG3 :: 2.0240 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.1970 Ave N Shift Values>> N :: 120.67(3.48) 1.K129 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.49 K 0.41 R 0.07 G 0.01 C Shift Assignments>> C :: 177.9990 CA :: 59.9830 CB :: 32.8860 CG :: 24.8400 CD :: 29.8000 CE :: 42.2600 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 :: 8.6940 HA :: 3.8330 HB2 :: 2.0300 HB3 :: 1.5900 HG2 :: 1.0160 HG3 :: 0.4150(S) HD2 :: 1.5650 HD3 :: 1.5650 HE2 :: 2.8620 HE3 :: 2.8620 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 :: 119.5010 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Y130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.67 C 0.32 C Shift Assignments>> C :: 179.2880 CA :: 60.2760 CB :: 39.3640 CD1 :: 132.0160 CD2 :: 132.0160 CE1 :: 118.3740 CE2 :: 118.3740 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 :: 8.3700 HA :: 4.4810 HB2 :: 3.0920 HB3 :: 3.1930 HD1 :: 6.8870 HD2 :: 6.8870 HE1 :: 6.8240 HE2 :: 6.8240 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 :: 121.4770 Ave N Shift Values>> N :: 120.52(4.2) 1.I131 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>> C :: 178.0080 CA :: 65.1510 CB :: 38.2040 CG1 :: 28.0160 CG2 :: 17.3230 CD1 :: 13.0700 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 :: 8.6780 HA :: 3.8310 HB :: 1.9340 HG12 :: 1.6640 HG13 :: 1.1080 HG21 :: 0.9070 HG22 :: 0.9070 HG23 :: 0.9070 HD11 :: 0.9420 HD12 :: 0.9420 HD13 :: 0.9420 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 117.4400 Ave N Shift Values>> N :: 121.46(4.28) 1.T132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.91 C 0.08 C Shift Assignments>> C :: 175.5640 CA :: 62.4640 CB :: 70.1280 CG2 :: 21.7000 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 :: 7.6800 HA :: 4.3020 HB :: 4.4420 HG21 :: 1.2210 HG22 :: 1.2210 HG23 :: 1.2210 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 :: 108.7270 Ave N Shift Values>> N :: 115.42(4.75) 1.G133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.06 C 0.03 C Shift Assignments>> C :: 174.8760 CA :: 46.1810 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.6810 HA2 :: 4.0630 HA3 :: 3.8600 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.6490 Ave N Shift Values>> N :: 109.67(3.87) 1.R134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.45 C 0.41 K 0.07 G 0.05 C Shift Assignments>> C :: 177.0530 CA :: 57.3800 CB :: 30.5480 CG :: 27.3500 CD :: 43.2630 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> HA :: 4.2260 HB2 :: 1.9850 HB3 :: 1.6700 HG2 :: 1.7010 HG3 :: 1.7010 HD2 :: 3.1650 HD3 :: 3.1650 HE :: 7.1080 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>> NE :: 84.8100 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.I135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.6 C 0.39 C Shift Assignments>> C :: 175.8520 CA :: 60.2750 CB :: 40.4310 CG1 :: 24.9320 CG2 :: 17.6980 CD1 :: 13.4630 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.3620 HA :: 4.6070 HB :: 1.9760 HG12 :: 1.2860 HG13 :: 0.8640 HG21 :: 0.8860 HG22 :: 0.8860 HG23 :: 0.8860 HD11 :: 0.9260 HD12 :: 0.9260 HD13 :: 0.9260 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 :: 111.9830 Ave N Shift Values>> N :: 121.46(4.28) 1.T136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.91 C 0.08 C Shift Assignments>> C :: 174.4470 CA :: 62.4600 CB :: 69.9860 CG2 :: 21.5770 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 :: 8.6920 HA :: 4.2960 HB :: 4.4410 HG21 :: 1.2300 HG22 :: 1.2300 HG23 :: 1.2300 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 :: 112.6140 Ave N Shift Values>> N :: 115.42(4.75) 1.H137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.63 C 0.36 C Shift Assignments>> C :: 173.2550 CA :: 54.3590 CB :: 30.2330 CE1 :: 138.5800 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 7.6040 HA :: 4.7960 HB2 :: 3.0600 HB3 :: 3.3730 HE1 :: 7.8640 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 :: 115.0190 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.L138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.78 C 0.18 A 0.02 C Shift Assignments>> C :: 176.2660 CA :: 53.0610 CB :: 40.5140 CG :: 26.7960 CD1 :: 25.3400 CD2 :: 23.9820 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 :: 8.8420 HA :: 4.4600 HB2 :: 1.5050 HB3 :: 1.5050 HG :: 1.1860 HD11 :: 0.6420 HD12 :: 0.6420 HD13 :: 0.6420 HD21 :: 0.7250 HD22 :: 0.7250 HD23 :: 0.7250 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.3290 Ave N Shift Values>> N :: 121.86(3.9) 1.P139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.83 C 0.16 C Shift Assignments>> C :: 176.9500 CA :: 64.6690 CB :: 30.9790 CG :: 27.9220 CD :: 50.3390 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 :: 4.3950 HB2 :: 2.2550 HB3 :: 1.9900 HG2 :: 2.0740 HG3 :: 2.0740 HD2 :: 3.6280 HD3 :: 3.6280 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.V140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.58 C 0.41 C Shift Assignments>> C :: 175.6420 CA :: 62.2700 CB :: 31.9510 CG1 :: 20.1650 CG2 :: 19.6700 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 :: 7.3890 HA :: 3.8420 HB :: 1.5440 HG11 :: 0.3230 HG12 :: 0.3230 HG13 :: 0.3230 HG21 :: 0.4260 HG22 :: 0.4260 HG23 :: 0.4260 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 :: 114.7140 Ave N Shift Values>> N :: 121.14(4.54) 1.G141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.83 L 0.1 C 0.02 R 0.01 F 0.01 C Shift Assignments>> C :: 174.0340 CA :: 45.2700 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.9190 HA2 :: 4.0340 HA3 :: 3.9350 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.2690 Ave N Shift Values>> N :: 109.67(3.87) 1.N142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.48 D 0.19 C 0.08 F 0.07 Y 0.07 L 0.05 HN Overlap>> 1.N44 1.I127 1.N44 1.I127 C Shift Assignments>> C :: 175.4560 CA :: 53.2850 CB :: 38.9890 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 :: 8.1510 HA :: 4.6480 HB2 :: 2.8190 HB3 :: 2.7330 HD21 :: 7.5940 HD22 :: 6.9010 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 :: 118.7810 ND2 :: 112.5900 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Q143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.3 K 0.28 C 0.24 E 0.07 M 0.04 R 0.04 HN Overlap>> 1.I54 1.I54 C Shift Assignments>> C :: 176.0280 CA :: 56.2820 CB :: 29.0900 CG :: 33.8310 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.4290 HA :: 4.2490 HB2 :: 1.9660 HB3 :: 2.1010 HG2 :: 2.3430 HG3 :: 2.3430 HE21 :: 7.4970 HE22 :: 6.8570 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.6110 NE2 :: 112.5100 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.65 C 0.28 R 0.02 A 0.01 G 0.01 C Shift Assignments>> C :: 177.3500 CA :: 55.3900 CB :: 42.1250 CG :: 26.7960 CD1 :: 24.9700 CD2 :: 23.4200 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 :: 8.1850 HA :: 4.2720 HB2 :: 1.6130 HB3 :: 1.5100 HG :: 1.5640 HD11 :: 0.9020 HD12 :: 0.9020 HD13 :: 0.9020 HD21 :: 0.8330 HD22 :: 0.8330 HD23 :: 0.8330 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.4180 Ave N Shift Values>> N :: 121.86(3.9) 1.E145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.3 M 0.11 Q 0.1 K 0.08 I 0.01 C Shift Assignments>> C :: 176.2510 CA :: 56.4150 CB :: 30.2330 CG :: 35.8950 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 :: 8.1700 HA :: 4.1790 HB2 :: 1.8950 HB3 :: 1.8950 HG2 :: 2.2010 HG3 :: 2.2010 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 :: 120.9690 Ave N Shift Values>> N :: 120.67(3.48) 1.H146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.18 H 0.17 K 0.16 R 0.13 C 0.12 E 0.12 M 0.05 L 0.01 C Shift Assignments>> C :: 174.2800 CA :: 55.2400 CB :: 29.2670 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 :: 8.4720 HA :: 4.6400 HB2 :: 3.1310 HB3 :: 3.1310 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 :: 119.4770 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.H147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.18 H 0.17 K 0.16 R 0.13 C 0.12 E 0.12 M 0.05 L 0.01 C Shift Assignments>> C :: 174.3150 CA :: 55.3500 CB :: 29.2340 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 :: 8.5450 HA :: 4.6710 HB2 :: 3.1540 HB3 :: 3.1540 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 :: 119.2960 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.H148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.18 H 0.17 K 0.15 R 0.14 E 0.13 C 0.12 M 0.05 L 0.01 C Shift Assignments>> C :: 174.1480 CA :: 55.4700 CB :: 29.4200 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 :: 8.6460 HA :: 4.6640 HB2 :: 3.1700 HB3 :: 3.1700 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 :: 119.8930 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.H149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.18 H 0.17 K 0.14 R 0.14 E 0.13 C 0.12 M 0.06 C Shift Assignments>> CA :: 55.4700 CB :: 29.5000 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 :: 8.6860 HA :: 4.6680 HB2 :: 3.1910 HB3 :: 3.1910 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 :: 120.5940 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.H150 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.17 H 0.17 R 0.14 K 0.14 E 0.14 C 0.13 M 0.06 C Shift Assignments>> CA :: 55.6400 CB :: 29.5800 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 :: 8.5790 HA :: 4.6580 HB2 :: 3.2170 HB3 :: 3.2170 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 :: 120.7670 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.H151 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.16 Q 0.16 H 0.15 K 0.14 C 0.14 R 0.13 M 0.04 I 0.02 C Shift Assignments>> CA :: 57.2000 CB :: 29.5400 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 :: 8.4020 HA :: 4.4680 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 :: 125.6930 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) ########################################################################### Overall Results: #Consistent: 143 #Clerical: 0 #Suspicious: 8 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 148 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 3 Shift Relative Order (SRO) Results: #Consistent: 150 #Suspicious: 1 C Shift Results: #Consistent: 614 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent:1000 #Duplicate: 0 #Unknown: 0 #Suspicious: 8 #Anomalous: 0 N Shift Results: #Consistent: 163 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.D7 HB2 = 1.7220(S), Expected = 2.72, Std = 0.2600, ChiSquare = 1.2381e-04 1.G12 H = 10.6010(S), Expected = 8.33, Std = 0.6500, ChiSquare = 4.7612e-04 1.S15 CB = 69.0420(S), Expected = 63.80, Std = 1.4800, ChiSquare = 3.9727e-04 1.S15 H = 10.4190(S), Expected = 8.28, Std = 0.5900, ChiSquare = 2.8849e-04 1.K34 SRO Rule Break>> HA > HE2 : 0.99351606248158 1.K34 SRO Rule Break>> HA > HE3 : 0.993548387096774 1.D86 H = 10.3450(S), Expected = 8.31, Std = 0.5800, ChiSquare = 4.5044e-04 1.L103 H = 11.0600(S), Expected = 8.23, Std = 0.6500, ChiSquare = 1.3377e-05 1.N117 H = 10.9120(S), Expected = 8.34, Std = 0.6300, ChiSquare = 4.4546e-05 1.N117 HA = 3.1070(S), Expected = 4.67, Std = 0.3600, ChiSquare = 1.4141e-05 1.K129 HG3 = 0.4150(S), Expected = 1.35, Std = 0.2800, ChiSquare = 8.3994e-04