Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.77 C 0.22 C Shift Assignments>> C :: 177.5790 CA :: 63.5840 CB :: 32.1690 CG :: 27.1910 CD :: 49.7340 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 :: 4.4870 HB2 :: 1.9960 HB3 :: 2.3060 HG2 :: 2.0200 HG3 :: 2.0200 HD2 :: 3.5940 HD3 :: 3.5940 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.G3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.09 C 0.02 R 0.01 HN Overlap>> 1.T108 1.T108 C Shift Assignments>> C :: 174.9090 CA :: 45.3520 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.7730 HA2 :: 4.0100 HA3 :: 4.0100 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.1960 Ave N Shift Values>> N :: 109.67(3.87) 1.S4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.3340 CA :: 58.3110 CB :: 64.0100 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.2440 HA :: 4.5170 HB2 :: 3.9200 HB3 :: 3.8710 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 :: 115.9210 Ave N Shift Values>> N :: 116.28(3.52) 1.E5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.41 C 0.36 K 0.06 I 0.05 M 0.05 Q 0.03 C Shift Assignments>> C :: 176.5510 CA :: 57.1080 CB :: 29.8660 CG :: 36.5280 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 :: 8.7220 HA :: 4.3220 HB2 :: 1.9300 HB3 :: 2.1010 HG2 :: 2.2860 HG3 :: 2.2860 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.6970 Ave N Shift Values>> N :: 120.67(3.48) 1.D6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.23 K 0.12 F 0.1 N 0.08 Y 0.07 C 0.05 R 0.01 C Shift Assignments>> C :: 176.0810 CA :: 54.6420 CB :: 41.2530 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.2610 HA :: 4.5920 HB2 :: 2.5760 HB3 :: 2.7220 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 :: 120.3100 Ave N Shift Values>> N :: 120.65(3.86) 1.D7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.22 K 0.1 F 0.1 N 0.09 Y 0.07 C 0.05 R 0.01 HN Overlap>> 1.K40 1.K40 1.E29 1.E29 C Shift Assignments>> C :: 176.0880 CA :: 54.5200 CB :: 41.0950 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 :: 8.1600 HA :: 4.5930 HB2 :: 2.6450 HB3 :: 2.6450 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 :: 120.4500 Ave N Shift Values>> N :: 120.65(3.86) 1.D8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.22 K 0.12 F 0.1 N 0.08 Y 0.07 C 0.05 R 0.01 C Shift Assignments>> C :: 176.3050 CA :: 54.5660 CB :: 41.2000 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.2820 HA :: 4.5960 HB2 :: 2.6130 HB3 :: 2.7010 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.6620 Ave N Shift Values>> N :: 120.65(3.86) 1.I9 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 :: 175.9690 CA :: 61.5830 CB :: 39.0230 CG1 :: 27.3600 CG2 :: 17.5350 CD1 :: 13.3250 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 :: 7.9220 HA :: 4.0970 HB :: 1.8490 HG12 :: 1.4240 HG13 :: 1.1530 HG21 :: 0.8580 HG22 :: 0.8580 HG23 :: 0.8580 HD11 :: 0.8560 HD12 :: 0.8560 HD13 :: 0.8560 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 :: 120.5430 Ave N Shift Values>> N :: 121.46(4.28) 1.D10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.21 N 0.11 F 0.1 K 0.09 Y 0.07 C 0.05 R 0.01 C Shift Assignments>> C :: 176.4160 CA :: 54.3530 CB :: 41.0600 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 :: 8.3700 HA :: 4.5950 HB2 :: 2.5690 HB3 :: 2.6680 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 :: 123.9900 Ave N Shift Values>> N :: 120.65(3.86) 1.L11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.65 C 0.3 R 0.02 A 0.01 HN Overlap>> 1.A35 1.A35 C Shift Assignments>> C :: 177.4910 CA :: 55.5970 CB :: 41.9300 CG :: 26.8310 CD1 :: 24.8650 CD2 :: 23.4460 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 :: 8.1000 HA :: 4.1920 HB2 :: 1.3950 HB3 :: 1.3060 HG :: 1.4500 HD11 :: 0.8320 HD12 :: 0.8320 HD13 :: 0.8320 HD21 :: 0.7560 HD22 :: 0.7560 HD23 :: 0.7560 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 :: 123.0710 Ave N Shift Values>> N :: 121.86(3.9) 1.F12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.4 Y 0.39 C 0.2 C Shift Assignments>> C :: 176.5730 CA :: 58.0000 CB :: 39.4560 CD1 :: 132.0250 CD2 :: 132.0250 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 :: 8.2030 HA :: 4.6240 HB2 :: 3.2360 HB3 :: 3.0100 HD1 :: 7.2660 HD2 :: 7.2660 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 119.6020 Ave N Shift Values>> N :: 120.45(4.18) 1.G13 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 :: 174.2000 CA :: 45.5270 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.2520 HA2 :: 3.9610 HA3 :: 3.9610 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.2530 Ave N Shift Values>> N :: 109.67(3.87) 1.S14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.3340 CA :: 58.3370 CB :: 64.0000 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.2640 HA :: 4.5170 HB2 :: 3.9000 HB3 :: 3.9000 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 :: 115.6700 Ave N Shift Values>> N :: 116.28(3.52) 1.D15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.22 F 0.1 N 0.1 K 0.1 Y 0.08 C 0.05 R 0.01 C Shift Assignments>> C :: 176.0130 CA :: 54.5190 CB :: 41.0590 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 :: 8.5060 HA :: 4.6470 HB2 :: 2.6420 HB3 :: 2.7070 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 122.2000 Ave N Shift Values>> N :: 120.65(3.86) 1.N16 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 0.08 L 0.06 C Shift Assignments>> C :: 175.3420 CA :: 53.4620 CB :: 39.1870 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 :: 8.3410 HA :: 4.7160 HB2 :: 2.7150 HB3 :: 2.8280 HD21 :: 6.9210 HD22 :: 7.6060 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 :: 118.8180 ND2 :: 113.1810 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.41 C 0.36 M 0.08 K 0.05 I 0.04 Q 0.04 HN Overlap>> 1.L85 1.L85 C Shift Assignments>> C :: 176.8420 CA :: 57.1360 CB :: 30.2110 CG :: 36.4390 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 :: 8.4580 HA :: 4.2700 HB2 :: 2.0790 HB3 :: 1.9590 HG2 :: 2.2690 HG3 :: 2.2690 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 :: 121.5750 Ave N Shift Values>> N :: 120.67(3.48) 1.E18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.41 C 0.36 M 0.08 K 0.05 Q 0.04 I 0.04 C Shift Assignments>> C :: 176.8420 CA :: 57.1000 CB :: 30.2360 CG :: 36.4260 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 :: 8.4100 HA :: 4.2560 HB2 :: 1.9530 HB3 :: 2.0640 HG2 :: 2.2710 HG3 :: 2.2710 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 :: 121.3350 Ave N Shift Values>> N :: 120.67(3.48) 1.E19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.41 C 0.37 M 0.1 K 0.03 Q 0.03 I 0.03 HN Overlap>> 1.F130 1.D20 1.F130 1.D20 C Shift Assignments>> C :: 176.5730 CA :: 57.0200 CB :: 30.5280 CG :: 36.4840 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 :: 8.3540 HA :: 4.2270 HB2 :: 2.0600 HB3 :: 1.9590 HG2 :: 2.2610 HG3 :: 2.2610 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.1170 Ave N Shift Values>> N :: 120.67(3.48) 1.D20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.24 K 0.14 F 0.09 N 0.07 Y 0.06 C 0.05 R 0.02 HN Overlap>> 1.E19 1.F130 1.E19 1.F130 C Shift Assignments>> C :: 176.8000 CA :: 54.5200 CB :: 41.4180 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 :: 8.3830 HA :: 4.6280 HB2 :: 2.7670 HB3 :: 2.7100 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 122.0360 Ave N Shift Values>> N :: 120.65(3.86) 1.K21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 K 0.43 R 0.11 G 0.01 C Shift Assignments>> C :: 178.3200 CA :: 58.3780 CB :: 32.5560 CG :: 24.8120 CD :: 29.2120 CE :: 42.3370 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 :: 8.4090 HA :: 4.1460 HB2 :: 1.8740 HB3 :: 1.8740 HG2 :: 1.5180 HG3 :: 1.4370 HD2 :: 1.6900 HD3 :: 1.6900 HE2 :: 3.0080 HE3 :: 3.0080 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 123.2090 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.36 I 0.11 K 0.07 Q 0.03 M 0.02 HN Overlap>> 1.V100 1.V100 C Shift Assignments>> C :: 178.1630 CA :: 58.3180 CB :: 29.5250 CG :: 36.4900 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 :: 8.3510 HA :: 4.1520 HB2 :: 2.0760 HB3 :: 2.0760 HG2 :: 2.2860 HG3 :: 2.2860 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 :: 120.5400 Ave N Shift Values>> N :: 120.67(3.48) 1.A23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.59 M 0.36 C 0.02 I 0.01 C Shift Assignments>> C :: 180.0210 CA :: 54.3560 CB :: 18.4970 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.1240 HA :: 4.1650 HB1 :: 1.4740 HB2 :: 1.4740 HB3 :: 1.4740 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.6220 Ave N Shift Values>> N :: 123.23(3.54) 1.A24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.52 M 0.41 C 0.03 I 0.02 C Shift Assignments>> C :: 179.8200 CA :: 54.8240 CB :: 18.5680 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.2520 HA :: 4.1050 HB1 :: 1.4780 HB2 :: 1.4780 HB3 :: 1.4780 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.9180 Ave N Shift Values>> N :: 123.23(3.54) 1.Q25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 Q 0.26 K 0.24 E 0.07 R 0.06 I 0.02 M 0.01 C Shift Assignments>> C :: 178.2300 CA :: 58.2510 CB :: 28.3960 CG :: 34.0220 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 :: 8.1050 HA :: 4.1520 HB2 :: 2.1580 HB3 :: 2.1580 HG2 :: 2.5050 HG3 :: 2.4150 HE21 :: 6.8630 HE22 :: 7.5970 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.3830 NE2 :: 112.0690 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.38 R 0.01 HN Overlap>> 1.Q65 1.Q65 C Shift Assignments>> C :: 179.0140 CA :: 57.3130 CB :: 41.7320 CG :: 27.0130 CD1 :: 24.8340 CD2 :: 23.5950 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 :: 7.9190 HA :: 4.2040 HB2 :: 1.7790 HB3 :: 1.6380 HG :: 1.6000 HD11 :: 0.9210 HD12 :: 0.9210 HD13 :: 0.9210 HD21 :: 0.8780 HD22 :: 0.8780 HD23 :: 0.8780 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.0500 Ave N Shift Values>> N :: 121.86(3.9) 1.R27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 R 0.42 G 0.08 K 0.03 C Shift Assignments>> C :: 178.1630 CA :: 59.1820 CB :: 30.1960 CG :: 27.5480 CD :: 43.4680 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.0170 HA :: 4.0510 HB2 :: 1.9230 HB3 :: 1.9230 HG2 :: 1.6040 HG3 :: 1.7270 HD2 :: 3.2190 HD3 :: 3.2190 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.4040 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.E28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 E 0.38 I 0.12 K 0.04 M 0.03 Q 0.02 HN Overlap>> 1.Q33 1.Q33 1.E36 1.E36 C Shift Assignments>> C :: 178.8280 CA :: 58.8030 CB :: 29.9400 CG :: 36.6340 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 :: 8.1440 HA :: 4.0650 HB2 :: 2.0830 HB3 :: 1.9510 HG2 :: 2.2740 HG3 :: 2.2740 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.1510 Ave N Shift Values>> N :: 120.67(3.48) 1.E29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.36 I 0.14 K 0.06 Q 0.02 M 0.02 HN Overlap>> 1.D7 1.D7 C Shift Assignments>> C :: 178.5660 CA :: 58.9030 CB :: 29.5590 CG :: 36.4520 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 :: 8.1560 HA :: 4.1390 HB2 :: 1.9070 HB3 :: 1.9070 HG2 :: 2.2850 HG3 :: 2.2850 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 :: 120.4450 Ave N Shift Values>> N :: 120.67(3.48) 1.R30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 R 0.43 G 0.08 K 0.02 HN Overlap>> 1.L31 1.L31 1.Y34 1.Y34 C Shift Assignments>> C :: 178.6560 CA :: 58.9030 CB :: 29.5590 CG :: 27.5530 CD :: 43.4800 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.1580 HA :: 4.1260 HB2 :: 1.9150 HB3 :: 1.9150 HG2 :: 1.7440 HG3 :: 1.6130 HD2 :: 3.2250 HD3 :: 3.2250 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.1300 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.L31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 C 0.38 R 0.02 HN Overlap>> 1.R30 1.Y34 1.R30 1.Y34 C Shift Assignments>> C :: 179.3500 CA :: 57.3610 CB :: 41.8310 CG :: 26.9920 CD1 :: 24.9470 CD2 :: 23.4140 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 :: 8.0770 HA :: 4.1930 HB2 :: 1.8390 HB3 :: 1.6170 HG :: 1.6000 HD11 :: 0.9210 HD12 :: 0.9210 HD13 :: 0.9210 HD21 :: 0.8750 HD22 :: 0.8750 HD23 :: 0.8750 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.1500 Ave N Shift Values>> N :: 121.86(3.9) 1.R32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.43 C 0.43 G 0.08 K 0.03 HN Overlap>> 1.K37 1.K37 1.K38 1.E113 1.K38 1.E113 C Shift Assignments>> C :: 178.2020 CA :: 58.2430 CB :: 30.1760 CG :: 27.5630 CD :: 43.5880 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.0130 HA :: 4.1640 HB2 :: 1.9240 HB3 :: 1.9240 HG2 :: 1.7630 HG3 :: 1.5930 HD2 :: 3.2190 HD3 :: 3.2190 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.7940 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.Q33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.37 I 0.07 K 0.06 M 0.04 Q 0.03 HN Overlap>> 1.E28 1.E36 1.E28 1.E36 C Shift Assignments>> C :: 177.6030 CA :: 57.7760 CB :: 29.9260 CG :: 36.4730 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 :: 8.1430 HA :: 4.1490 HB2 :: 2.0810 HB3 :: 1.9460 HG2 :: 2.2720 HG3 :: 2.2720 HE21 :: 6.8240 HE22 :: 7.5770 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 :: 119.1400 NE2 :: 111.9640 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Y34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.63 C 0.36 HN Overlap>> 1.L31 1.R30 1.L31 1.R30 C Shift Assignments>> C :: 176.8390 CA :: 59.5670 CB :: 38.4110 CD1 :: 132.9000 CD2 :: 132.9000 CE1 :: 118.1160 CE2 :: 118.1160 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 :: 8.0990 HA :: 4.4320 HB2 :: 3.1640 HB3 :: 3.0920 HD1 :: 7.1460 HD2 :: 7.1460 HE1 :: 6.8200 HE2 :: 6.8200 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 :: 120.1220 Ave N Shift Values>> N :: 120.52(4.2) 1.A35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.7 M 0.25 C 0.02 HN Overlap>> 1.L11 1.L11 C Shift Assignments>> C :: 179.0590 CA :: 53.9220 CB :: 18.8040 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.0370 HA :: 4.1450 HB1 :: 1.4810 HB2 :: 1.4810 HB3 :: 1.4810 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.1020 Ave N Shift Values>> N :: 123.23(3.54) 1.E36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.37 I 0.07 K 0.05 M 0.05 Q 0.03 HN Overlap>> 1.Q33 1.E28 1.Q33 1.E28 C Shift Assignments>> C :: 177.6260 CA :: 57.8180 CB :: 30.0450 CG :: 36.5150 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 :: 8.1420 HA :: 4.1360 HB2 :: 2.0800 HB3 :: 2.0800 HG2 :: 2.2720 HG3 :: 2.2720 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.1510 Ave N Shift Values>> N :: 120.67(3.48) 1.K37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 K 0.43 R 0.11 G 0.01 HN Overlap>> 1.R32 1.K38 1.E113 1.R32 1.K38 1.E113 C Shift Assignments>> C :: 177.4700 CA :: 58.6020 CB :: 32.8260 CG :: 24.8260 CD :: 29.0650 CE :: 42.3380 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 :: 8.0170 HA :: 4.1710 HB2 :: 1.8560 HB3 :: 1.8560 HG2 :: 1.5050 HG3 :: 1.4230 HD2 :: 1.6890 HD3 :: 1.6890 HE2 :: 3.0000 HE3 :: 3.0000 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.8900 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.44 C 0.43 R 0.11 HN Overlap>> 1.K37 1.R32 1.K37 1.R32 1.E113 1.E113 C Shift Assignments>> C :: 176.6530 CA :: 57.6250 CB :: 32.7670 CG :: 24.7130 CD :: 29.1120 CE :: 42.0990 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 :: 8.0180 HA :: 4.1910 HB2 :: 1.7050 HB3 :: 1.7930 HG2 :: 1.4290 HG3 :: 1.5190 HD2 :: 1.6840 HD3 :: 1.6840 HE2 :: 3.0000 HE3 :: 3.0000 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.8900 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.86 M 0.1 C 0.01 C Shift Assignments>> C :: 177.6700 CA :: 52.5820 CB :: 19.2110 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.9790 HA :: 4.2570 HB1 :: 1.3990 HB2 :: 1.3990 HB3 :: 1.3990 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.7400 Ave N Shift Values>> N :: 123.23(3.54) 1.K40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.46 C 0.38 R 0.13 G 0.01 HN Overlap>> 1.D7 1.D7 C Shift Assignments>> C :: 176.3900 CA :: 56.2750 CB :: 33.1100 CG :: 24.7980 CD :: 29.0590 CE :: 42.4090 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 :: 8.0860 HA :: 4.2830 HB2 :: 1.8210 HB3 :: 1.7340 HG2 :: 1.4390 HG3 :: 1.4390 HD2 :: 1.6780 HD3 :: 1.6780 HE2 :: 2.9980 HE3 :: 2.9980 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.5350 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.56 C 0.3 R 0.11 G 0.01 C Shift Assignments>> C :: 174.4680 CA :: 54.3100 CB :: 32.6370 CG :: 24.9780 CD :: 29.2010 CE :: 42.2220 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 :: 8.2730 HA :: 4.5820 HB2 :: 1.8300 HB3 :: 1.8300 HG2 :: 1.5160 HG3 :: 1.4440 HD2 :: 1.6840 HD3 :: 1.6840 HE2 :: 3.0120 HE3 :: 3.0120 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 :: 124.4240 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.72 C 0.27 C Shift Assignments>> C :: 176.4620 CA :: 63.0200 CB :: 32.0700 CG :: 27.3430 CD :: 50.8190 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 :: 4.3910 HB2 :: 1.8830 HB3 :: 2.2910 HG2 :: 2.0280 HG3 :: 2.0280 HD2 :: 3.8200 HD3 :: 3.6360 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.A43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.88 M 0.09 C 0.01 C Shift Assignments>> C :: 177.5380 CA :: 52.3580 CB :: 19.1690 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.3790 HA :: 4.2870 HB1 :: 1.3690 HB2 :: 1.3690 HB3 :: 1.3690 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.6100 Ave N Shift Values>> N :: 123.23(3.54) 1.L44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.66 C 0.26 R 0.03 A 0.01 G 0.01 C Shift Assignments>> C :: 176.9460 CA :: 54.9250 CB :: 42.3560 CG :: 26.9840 CD1 :: 24.8860 CD2 :: 23.5960 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 :: 8.2130 HA :: 4.3700 HB2 :: 1.6170 HB3 :: 1.6170 HG :: 1.5910 HD11 :: 0.9250 HD12 :: 0.9250 HD13 :: 0.9250 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 :: 122.1900 Ave N Shift Values>> N :: 121.86(3.9) 1.V45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.61 C 0.38 C Shift Assignments>> C :: 175.1410 CA :: 61.6160 CB :: 33.3290 CG1 :: 20.8360 CG2 :: 20.8360 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.0980 HA :: 4.1180 HB :: 2.0170 HG11 :: 0.9010 HG12 :: 0.9010 HG13 :: 0.9010 HG21 :: 0.9010 HG22 :: 0.9010 HG23 :: 0.9010 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 :: 122.2170 Ave N Shift Values>> N :: 121.14(4.54) 1.A46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.86 M 0.1 C 0.01 C Shift Assignments>> C :: 177.1490 CA :: 52.6110 CB :: 19.1560 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.4620 HA :: 4.3870 HB1 :: 1.4370 HB2 :: 1.4370 HB3 :: 1.4370 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 129.9280 Ave N Shift Values>> N :: 123.23(3.54) 1.K47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 R 0.41 K 0.07 G 0.01 HN Overlap>> 1.K132 1.K132 C Shift Assignments>> C :: 176.4170 CA :: 55.4360 CB :: 37.6880 CG :: 25.7840 CD :: 29.6500 CE :: 42.2420 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 :: 8.6570 HA :: 5.4770 HB2 :: 1.5690 HB3 :: 1.6460 HG2 :: 1.2330 HG3 :: 1.4410 HD2 :: 1.5250 HD3 :: 1.5250 HE2 :: 2.7860 HE3 :: 2.7860 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 123.7350 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.96 T 0.03 C Shift Assignments>> C :: 171.8880 CA :: 58.2470 CB :: 65.7250 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.8570 HA :: 5.1080 HB2 :: 3.1730 HB3 :: 3.3340 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 :: 115.8380 Ave N Shift Values>> N :: 116.28(3.52) 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 :: 174.1140 CA :: 55.9940 CB :: 64.1100 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.1350 HA :: 5.2230 HB2 :: 3.6750 HB3 :: 3.7190 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 118.0570 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 0.59 C 0.4 C Shift Assignments>> C :: 173.8180 CA :: 60.4800 CB :: 40.8780 CG1 :: 27.2820 CG2 :: 18.5820 CD1 :: 14.2800 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 :: 9.0310 HA :: 4.7410 HB :: 1.8130 HG12 :: 0.8330 HG13 :: 1.3180 HG21 :: 0.8870 HG22 :: 0.8870 HG23 :: 0.8870 HD11 :: 0.6030 HD12 :: 0.6030 HD13 :: 0.6030 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 :: 127.6650 Ave N Shift Values>> N :: 121.46(4.28) 1.L51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.52 L 0.31 C 0.13 A 0.01 C Shift Assignments>> C :: 175.2340 CA :: 53.5140 CB :: 45.5200 CG :: 27.0210 CD1 :: 25.2700 CD2 :: 23.8900 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 :: 8.7520 HA :: 5.0260 HB2 :: 1.8500 HB3 :: 1.3410 HG :: 1.2400 HD11 :: 0.7400 HD12 :: 0.7400 HD13 :: 0.7400 HD21 :: 0.8020 HD22 :: 0.8020 HD23 :: 0.8020 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 128.9450 Ave N Shift Values>> N :: 121.86(3.9) 1.L52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.45 L 0.24 C 0.23 R 0.06 C Shift Assignments>> C :: 174.5810 CA :: 54.2320 CB :: 44.7020 CG :: 27.1330 CD1 :: 25.4500 CD2 :: 27.1330 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 :: 9.3500 HA :: 5.0380 HB2 :: 1.9710 HB3 :: 1.2320 HG :: 1.6690 HD11 :: 0.7520 HD12 :: 0.7520 HD13 :: 0.7520 HD21 :: 0.9880 HD22 :: 0.9880 HD23 :: 0.9880 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 127.1460 Ave N Shift Values>> N :: 121.86(3.9) 1.D53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 G 0.26 R 0.17 D 0.14 C 0.04 F 0.02 K 0.01 N 0.01 Y 0.01 C Shift Assignments>> C :: 175.7790 CA :: 52.5030 CB :: 43.7260 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 :: 8.9720 HA :: 5.5140 HB2 :: 2.2340 HB3 :: 2.6570 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 121.5280 Ave N Shift Values>> N :: 120.65(3.86) 1.V54 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 :: 174.7360 CA :: 61.2860 CB :: 32.5290 CG1 :: 21.5370 CG2 :: 20.3230 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.8150 HA :: 4.5360 HB :: 2.2390 HG11 :: 0.9030 HG12 :: 0.9030 HG13 :: 0.9030 HG21 :: 0.8030 HG22 :: 0.8030 HG23 :: 0.8030 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 :: 125.5570 Ave N Shift Values>> N :: 121.14(4.54) 1.K55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.57 C 0.28 R 0.11 G 0.01 C Shift Assignments>> C :: 174.1910 CA :: 53.7570 CB :: 32.6700 CG :: 24.7890 CD :: 29.1130 CE :: 42.2250 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 :: 8.7520 HA :: 4.8180 HB2 :: 1.8220 HB3 :: 1.7170 HG2 :: 1.3640 HG3 :: 1.2950 HD2 :: 1.5240 HD3 :: 1.5240 HE2 :: 3.0000 HE3 :: 3.0000 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 128.3210 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.74 P 0.25 C Shift Assignments>> C :: 176.6770 CA :: 61.3900 CB :: 33.9200 CG :: 26.7610 CD :: 51.2600 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 :: 5.4540 HB2 :: 2.5930 HB3 :: 2.2170 HG2 :: 1.8120 HG3 :: 2.6390 HD2 :: 3.6400 HD3 :: 3.8150 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.W57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 W 0.41 C Shift Assignments>> C :: 176.6970 CA :: 60.6950 CB :: 30.5860 CD1 :: 126.9540 CE3 :: 120.0780 CZ2 :: 116.1800 CZ3 :: 122.3110 CH2 :: 124.6150 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 6.8700 HA :: 4.2690 HB2 :: 2.8300 HB3 :: 3.3120 HD1 :: 6.9240 HE1 :: 9.5650 HE3 :: 7.6250 HZ2 :: 7.6050 HZ3 :: 7.2030 HH2 :: 7.3330 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 117.3270 NE1 :: 129.9590 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.D58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.23 K 0.11 N 0.09 F 0.08 Y 0.06 C 0.05 R 0.01 C Shift Assignments>> C :: 175.6080 CA :: 54.1410 CB :: 41.3120 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 :: 8.1650 HA :: 4.6050 HB2 :: 3.0710 HB3 :: 3.1740 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 :: 113.2310 Ave N Shift Values>> N :: 120.65(3.86) 1.D59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.24 F 0.17 Y 0.16 L 0.14 N 0.13 C 0.09 K 0.01 I 0.01 C Shift Assignments>> C :: 176.2300 CA :: 55.4250 CB :: 40.0160 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 :: 8.8680 HA :: 4.3510 HB2 :: 2.6150 HB3 :: 2.9490 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 115.4300 Ave N Shift Values>> N :: 120.65(3.86) 1.E60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.42 C 0.37 M 0.11 K 0.03 I 0.02 Q 0.02 C Shift Assignments>> C :: 177.5220 CA :: 55.9840 CB :: 30.4940 CG :: 36.7920 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 :: 8.7760 HA :: 4.4420 HB2 :: 2.2000 HB3 :: 2.0160 HG2 :: 2.1780 HG3 :: 2.1780 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 :: 120.0670 Ave N Shift Values>> N :: 120.67(3.48) 1.T61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.82 C 0.17 C Shift Assignments>> C :: 174.2070 CA :: 64.7220 CB :: 70.0120 CG2 :: 23.5490 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 :: 7.7250 HA :: 4.1690 HB :: 4.1360 HG21 :: 1.6910 HG22 :: 1.6910 HG23 :: 1.6910 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 :: 120.5880 Ave N Shift Values>> N :: 115.42(4.75) 1.D62 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 0.07 C 0.05 C Shift Assignments>> C :: 176.3390 CA :: 54.0420 CB :: 40.8940 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 :: 9.2620 HA :: 4.5790 HB2 :: 3.0330 HB3 :: 2.6960 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 :: 127.9780 Ave N Shift Values>> N :: 120.65(3.86) 1.M63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 M 0.35 A 0.16 C Shift Assignments>> C :: 180.4330 CA :: 55.4600 CB :: 29.1620 CG :: 32.5900 CE :: 16.7360 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 :: 8.8580 HA :: 4.5900 HB2 :: 2.0600 HB3 :: 2.0600 HG2 :: 2.7910 HG3 :: 2.6440 HE1 :: 1.8510 HE2 :: 1.8510 HE3 :: 1.8510 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 125.8960 Ave N Shift Values>> N :: 120.09(3.57) 1.A64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.63 A 0.29 I 0.04 C 0.02 C Shift Assignments>> C :: 181.1020 CA :: 55.2270 CB :: 17.5210 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.3660 HA :: 4.2760 HB1 :: 1.5040 HB2 :: 1.5040 HB3 :: 1.5040 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.3740 Ave N Shift Values>> N :: 123.23(3.54) 1.Q65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 Q 0.26 K 0.25 R 0.08 E 0.04 M 0.02 I 0.01 HN Overlap>> 1.L26 1.L26 C Shift Assignments>> C :: 178.1140 CA :: 58.1830 CB :: 28.2790 CG :: 33.7170 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 :: 7.8550 HA :: 3.9230 HB2 :: 1.7340 HB3 :: 1.8370 HG2 :: 2.2240 HG3 :: 2.2240 HE21 :: 7.4670 HE22 :: 6.9320 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 :: 121.0140 NE2 :: 112.7540 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 R 0.21 L 0.15 G 0.03 C Shift Assignments>> C :: 178.0050 CA :: 60.2520 CB :: 42.5170 CG :: 27.6170 CD1 :: 26.7800 CD2 :: 25.7560 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 :: 8.1920 HA :: 3.3450 HB2 :: 1.7950 HB3 :: 1.5820 HG :: 1.3430 HD11 :: 0.8320 HD12 :: 0.8320 HD13 :: 0.8320 HD21 :: 0.6820 HD22 :: 0.6820 HD23 :: 0.6820 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.1660 Ave N Shift Values>> N :: 121.86(3.9) 1.E67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 I 0.25 E 0.21 K 0.08 Q 0.05 C Shift Assignments>> C :: 176.6040 CA :: 60.1270 CB :: 28.2970 CG :: 35.7710 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 :: 7.9020 HA :: 3.3240 HB2 :: 1.8600 HB3 :: 1.8600 HG2 :: 2.1300 HG3 :: 1.8520 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.6870 Ave N Shift Values>> N :: 120.67(3.48) 1.A68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.61 A 0.33 I 0.03 C 0.01 C Shift Assignments>> C :: 181.1020 CA :: 54.9410 CB :: 17.4490 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.7630 HA :: 3.8210 HB1 :: 1.3250 HB2 :: 1.3250 HB3 :: 1.3250 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.7920 Ave N Shift Values>> N :: 123.23(3.54) 1.C69 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.28 I 0.26 C 0.25 P 0.1 T 0.06 K 0.01 C Shift Assignments>> C :: 177.5220 CA :: 63.8300 CB :: 24.4400 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.0020 HA :: 3.4330 HB2 :: 2.4280 HB3 :: 0.5870(S) Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 116.5920 Ave N Shift Values>> N :: 120.17(4.64) 1.V70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.9 C 0.09 C Shift Assignments>> C :: 175.7320 CA :: 67.5170 CB :: 31.1030 CG1 :: 22.1020 CG2 :: 23.3230 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 :: 7.5370 HA :: 3.1710 HB :: 1.5930 HG11 :: 0.0400 HG12 :: 0.0400 HG13 :: 0.0400 HG21 :: 0.7970 HG22 :: 0.7970 HG23 :: 0.7970 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.4950 Ave N Shift Values>> N :: 121.14(4.54) 1.R71 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.52 K 0.34 L 0.09 G 0.02 R 0.01 C Shift Assignments>> C :: 176.3080 CA :: 58.1950 CB :: 29.2620 CG :: 23.3800 CD :: 42.5750 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 :: 7.8390 HA :: 2.7540(S) HB2 :: 1.5900 HB3 :: 0.9480 HG2 :: 1.2260 HG3 :: 1.2770 HD2 :: 3.1270 HD3 :: 2.9160 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 :: 112.2330 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) SRO Rule Breaks>> (HA > HD2 : 0.9912) 1.S72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.7520 CA :: 59.7040 CB :: 63.3810 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.4690 HA :: 4.3470 HB2 :: 4.1030 HB3 :: 4.0310 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.3420 Ave N Shift Values>> N :: 116.28(3.52) 1.I73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.73 C 0.26 C Shift Assignments>> C :: 175.4050 CA :: 63.5410 CB :: 38.0130 CG1 :: 27.9000 CG2 :: 16.4800 CD1 :: 16.0790 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 :: 7.7550 HA :: 4.0380 HB :: 2.5560 HG12 :: 2.2530 HG13 :: 1.3500 HG21 :: 0.9820 HG22 :: 0.9820 HG23 :: 0.9820 HD11 :: 1.2590 HD12 :: 1.2590 HD13 :: 1.2590 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 :: 125.7180 Ave N Shift Values>> N :: 121.46(4.28) 1.Q74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.32 M 0.12 Q 0.06 K 0.06 C Shift Assignments>> C :: 174.5490 CA :: 54.5050 CB :: 30.2110 CG :: 36.2880 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 :: 8.5530 HA :: 4.8990 HB2 :: 1.9980 HB3 :: 2.1050 HG2 :: 2.3490 HG3 :: 2.3490 HE21 :: 7.5900 HE22 :: 6.9270 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 :: 130.9620 NE2 :: 112.6370 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.57 L 0.19 C 0.17 A 0.05 C Shift Assignments>> C :: 175.9190 CA :: 53.1880 CB :: 45.9930 CG :: 26.6600 CD1 :: 23.3810 CD2 :: 25.8900 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 :: 8.2750 HA :: 4.5990 HB2 :: 1.3670 HB3 :: 1.3670 HG :: 1.4530 HD11 :: 0.9810 HD12 :: 0.9810 HD13 :: 0.9810 HD21 :: 0.7650 HD22 :: 0.7650 HD23 :: 0.7650 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 :: 124.8330 Ave N Shift Values>> N :: 121.86(3.9) 1.D76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.22 F 0.19 Y 0.16 L 0.16 C 0.09 N 0.07 K 0.04 I 0.01 C Shift Assignments>> C :: 176.4330 CA :: 55.8730 CB :: 40.3900 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 :: 8.5450 HA :: 4.3540 HB2 :: 2.6560 HB3 :: 2.5660 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 :: 123.0480 Ave N Shift Values>> N :: 120.65(3.86) 1.G77 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 :: 172.2610 CA :: 45.5000 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.4940 HA2 :: 4.1510 HA3 :: 3.6280 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.6190 Ave N Shift Values>> N :: 109.67(3.87) 1.L78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.55 L 0.25 C 0.17 R 0.01 C Shift Assignments>> C :: 175.4830 CA :: 53.9330 CB :: 45.3960 CG :: 27.6810 CD1 :: 26.0610 CD2 :: 24.6350 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 :: 7.6240 HA :: 4.8960 HB2 :: 1.9510 HB3 :: 0.9330 HG :: 0.5600 HD11 :: 0.3760 HD12 :: 0.3760 HD13 :: 0.3760 HD21 :: -0.1010 HD22 :: -0.1010 HD23 :: -0.1010 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.0510 Ave N Shift Values>> N :: 121.86(3.9) 1.V79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.59 C 0.4 C Shift Assignments>> C :: 176.4330 CA :: 61.5980 CB :: 34.8190 CG1 :: 21.1090 CG2 :: 21.1090 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.5090 HA :: 4.3720 HB :: 1.8710 HG11 :: 0.9370 HG12 :: 0.9370 HG13 :: 0.9370 HG21 :: 0.9370 HG22 :: 0.9370 HG23 :: 0.9370 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 127.4510 Ave N Shift Values>> N :: 121.14(4.54) 1.W80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 W 0.39 C Shift Assignments>> C :: 177.1170 CA :: 58.3140 CB :: 31.4720 CD1 :: 127.4300 CZ2 :: 115.8610 CH2 :: 122.9140 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.9640 HA :: 4.7070 HB2 :: 3.3970 HB3 :: 3.3030 HD1 :: 7.4740 HE1 :: 10.1270 HZ2 :: 7.2350 HH2 :: 6.7590 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 129.2600 NE1 :: 129.4230 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.G81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.32 L 0.3 G 0.18 D 0.04 F 0.04 C 0.04 Y 0.02 K 0.01 C Shift Assignments>> C :: 173.1950 CA :: 43.8250 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.2760 HA2 :: 4.6320 HA3 :: 3.6610 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 114.2660 Ave N Shift Values>> N :: 109.67(3.87) 1.A82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.88 M 0.04 C 0.03 L 0.03 HN Overlap>> 1.Q123 1.Q123 C Shift Assignments>> C :: 176.6970 CA :: 52.6410 CB :: 20.1930 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.5290 HA :: 4.4610 HB1 :: 1.4600 HB2 :: 1.4600 HB3 :: 1.4600 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.4130 Ave N Shift Values>> N :: 123.23(3.54) 1.S83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.57 T 0.42 C Shift Assignments>> C :: 173.6150 CA :: 56.3650 CB :: 67.2680 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.7490 HA :: 5.6350 HB2 :: 3.4860 HB3 :: 3.8240 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 :: 112.6570 Ave N Shift Values>> N :: 116.28(3.52) 1.K84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 K 0.36 R 0.02 A 0.01 G 0.01 C Shift Assignments>> C :: 173.9890 CA :: 55.4000 CB :: 36.1940 CG :: 23.6830 CD :: 29.0780 CE :: 42.1240 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 :: 8.8780 HA :: 4.5600 HB2 :: 1.8960 HB3 :: 1.7000 HG2 :: 1.2510 HG3 :: 1.4160 HD2 :: 1.6390 HD3 :: 1.7120 HE2 :: 2.9370 HE3 :: 2.9370 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 :: 117.2420 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.7 C 0.17 R 0.06 G 0.04 A 0.01 HN Overlap>> 1.E17 1.E17 C Shift Assignments>> C :: 177.4910 CA :: 53.4440 CB :: 42.8340 CG :: 26.7530 CD1 :: 25.7560 CD2 :: 24.4000 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 :: 8.5630 HA :: 5.3350 HB2 :: 1.8580 HB3 :: 0.9950 HG :: 1.6690 HD11 :: 0.8500 HD12 :: 0.8500 HD13 :: 0.8500 HD21 :: 0.7760 HD22 :: 0.7760 HD23 :: 0.7760 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.6000 Ave N Shift Values>> N :: 121.86(3.9) 1.V86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.63 V 0.36 C Shift Assignments>> C :: 173.9010 CA :: 59.2640 CB :: 35.1010 CG1 :: 20.9100 CG2 :: 20.6060 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 :: 8.9430 HA :: 4.6450 HB :: 1.7670 HG11 :: 0.9390 HG12 :: 0.9390 HG13 :: 0.9390 HG21 :: 0.8110 HG22 :: 0.8110 HG23 :: 0.8110 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 124.8380 Ave N Shift Values>> N :: 121.14(4.54) 1.P87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.73 C 0.26 C Shift Assignments>> C :: 177.1320 CA :: 63.6990 CB :: 32.5330 CG :: 27.3350 CD :: 51.5530 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 :: 4.6430 HB2 :: 2.0020 HB3 :: 2.3670 HG2 :: 2.2120 HG3 :: 1.9790 HD2 :: 3.8940 HD3 :: 3.8310 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.V88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.61 C 0.38 C Shift Assignments>> C :: 175.5770 CA :: 61.5910 CB :: 32.5720 CG1 :: 21.3910 CG2 :: 20.3630 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 :: 8.5420 HA :: 4.4450 HB :: 2.2390 HG11 :: 0.8960 HG12 :: 0.8960 HG13 :: 0.8960 HG21 :: 0.8000 HG22 :: 0.8000 HG23 :: 0.8000 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.1540 Ave N Shift Values>> N :: 121.14(4.54) 1.G89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.76 L 0.13 C 0.03 R 0.03 F 0.01 C Shift Assignments>> C :: 174.0200 CA :: 45.0310 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.7680 HA2 :: 4.1690 HA3 :: 3.7230 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.1400 Ave N Shift Values>> N :: 109.67(3.87) 1.Y90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.53 Y 0.45 H 0.01 C Shift Assignments>> C :: 176.0910 CA :: 59.0200 CB :: 35.8440 CD1 :: 133.1190 CD2 :: 133.1190 CE1 :: 118.2410 CE2 :: 118.2410 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>> HA :: 4.2250 HB2 :: 3.2200 HB3 :: 3.0610 HD1 :: 7.1120 HD2 :: 7.1120 HE1 :: 6.8680 HE2 :: 6.8680 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) 1.G91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> C :: 173.9110 CA :: 45.7130 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.3840 HA2 :: 3.6870 HA3 :: 4.2600 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.9530 Ave N Shift Values>> N :: 109.67(3.87) 1.I92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.62 C 0.37 C Shift Assignments>> C :: 175.7010 CA :: 60.6320 CB :: 38.9040 CG1 :: 28.0300 CG2 :: 17.5480 CD1 :: 12.3700 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 :: 7.7600 HA :: 4.1640 HB :: 1.8910 HG12 :: 1.5870 HG13 :: 0.9580 HG21 :: 0.7430 HG22 :: 0.7430 HG23 :: 0.7430 HD11 :: 0.8110 HD12 :: 0.8110 HD13 :: 0.8110 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 :: 120.2260 Ave N Shift Values>> N :: 121.46(4.28) 1.R93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.43 C 0.38 G 0.13 K 0.04 C Shift Assignments>> C :: 174.3000 CA :: 54.6700 CB :: 32.9220 CG :: 27.0340 CD :: 43.6070 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.8080 HA :: 5.0140 HB2 :: 1.4750 HB3 :: 1.6590 HG2 :: 1.6060 HG3 :: 1.6060 HD2 :: 3.2250 HD3 :: 2.9910 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 126.8230 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.K94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.25 C 0.24 Q 0.14 K 0.1 E 0.08 N 0.07 H 0.02 R 0.01 Y 0.01 C Shift Assignments>> C :: 174.3470 CA :: 53.3770 CB :: 34.9600 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.7060 HA :: 4.8260 HB2 :: 1.6460 HB3 :: 1.4960 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 115.4510 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.4 G 0.25 C 0.2 R 0.12 C Shift Assignments>> C :: 174.3470 CA :: 54.0090 CB :: 44.1670 CG :: 27.3000 CD1 :: 26.8790 CD2 :: 24.5400 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 :: 8.6220 HA :: 4.7390 HB2 :: 1.9240 HB3 :: 1.0200 HG :: 1.2170 HD11 :: 0.5510 HD12 :: 0.5510 HD13 :: 0.5510 HD21 :: 0.7650 HD22 :: 0.7650 HD23 :: 0.7650 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 :: 122.9600 Ave N Shift Values>> N :: 121.86(3.9) 1.Q96 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.39 C 0.35 E 0.18 Q 0.06 C Shift Assignments>> C :: 174.9850 CA :: 54.7990 CB :: 32.4110 CG :: 35.4610 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 :: 9.2100 HA :: 5.9540(S) HB2 :: 1.7210 HB3 :: 2.0480 HG2 :: 2.0080 HG3 :: 2.4190 HE21 :: 9.1210(S) HE22 :: 6.7010 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 :: 129.5980 NE2 :: 112.9830 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.9 G 0.05 I 0.04 C Shift Assignments>> C :: 171.4190 CA :: 59.1250 CB :: 42.7510 CG1 :: 29.6310 CG2 :: 14.5910 CD1 :: 14.5910 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 :: 9.4870 HA :: 5.0990 HB :: 1.2860 HG12 :: 1.4610 HG13 :: 1.6070 HG21 :: 0.9500 HG22 :: 0.9500 HG23 :: 0.9500 HD11 :: 0.4530 HD12 :: 0.4530 HD13 :: 0.4530 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 :: 125.8820 Ave N Shift Values>> N :: 121.46(4.28) 1.Q98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.41 C 0.26 Q 0.21 E 0.07 K 0.02 C Shift Assignments>> C :: 175.5610 CA :: 54.4380 CB :: 31.5540 CG :: 34.1400 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 :: 8.3790 HA :: 5.4800 HB2 :: 2.0550 HB3 :: 2.3150 HG2 :: 2.4070 HG3 :: 2.4070 HE21 :: 7.2750 HE22 :: 6.6930 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 :: 128.3360 NE2 :: 111.6700 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.C99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.18 K 0.16 C 0.15 R 0.13 H 0.12 W 0.09 E 0.08 Q 0.05 V 0.01 C Shift Assignments>> C :: 172.0750 CA :: 56.3450 CB :: 32.0500 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.2490 HA :: 5.1140 HB2 :: 2.0900 HB3 :: 2.9780 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 116.8010 Ave N Shift Values>> N :: 120.17(4.64) 1.V100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.57 C 0.42 HN Overlap>> 1.E22 1.E22 C Shift Assignments>> C :: 176.2560 CA :: 61.2480 CB :: 34.4440 CG1 :: 21.7560 CG2 :: 21.7560 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 :: 8.3940 HA :: 5.0260 HB :: 1.7190 HG11 :: 0.8390 HG12 :: 0.8390 HG13 :: 0.8390 HG21 :: 0.9030 HG22 :: 0.9030 HG23 :: 0.9030 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 :: 120.6000 Ave N Shift Values>> N :: 121.14(4.54) 1.V101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.83 A 0.09 V 0.06 C Shift Assignments>> C :: 175.6570 CA :: 57.3980 CB :: 35.5140 CG1 :: 23.0810 CG2 :: 19.1560 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 :: 8.9440 HA :: 5.6310 HB :: 2.0540 HG11 :: 0.6740 HG12 :: 0.6740 HG13 :: 0.6740 HG21 :: 0.8060 HG22 :: 0.8060 HG23 :: 0.8060 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.2500 Ave N Shift Values>> N :: 121.14(4.54) 1.E102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> E 0.42 C 0.31 K 0.09 Q 0.06 M 0.06 I 0.02 C Shift Assignments>> C :: 176.8900 CA :: 55.1950 CB :: 29.6830 CG :: 36.3050 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>> HA :: 4.7080 HB2 :: 2.1880 HB3 :: 1.8670 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) 1.D103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.23 Y 0.19 L 0.15 D 0.13 K 0.11 C 0.09 I 0.03 N 0.02 C Shift Assignments>> C :: 176.9000 CA :: 57.1110 CB :: 40.8160 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 :: 8.3570 HA :: 4.3090 HB2 :: 2.6750 HB3 :: 2.4210 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 :: 127.9760 Ave N Shift Values>> N :: 120.65(3.86) 1.D104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.25 F 0.17 L 0.17 Y 0.15 N 0.1 C 0.08 K 0.04 I 0.01 C Shift Assignments>> C :: 176.2930 CA :: 55.5250 CB :: 40.3750 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 :: 9.0540 HA :: 4.4050 HB2 :: 2.7240 HB3 :: 2.6420 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 115.1900 Ave N Shift Values>> N :: 120.65(3.86) 1.K105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 R 0.29 K 0.17 G 0.01 C Shift Assignments>> C :: 176.5100 CA :: 58.1550 CB :: 36.6430 CG :: 25.8340 CD :: 29.4370 CE :: 42.2250 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 :: 7.9200 HA :: 4.4230 HB2 :: 1.7150 HB3 :: 2.0510 HG2 :: 1.2790 HG3 :: 1.4170 HD2 :: 1.4170 HD3 :: 1.4170 HE2 :: 3.0070 HE3 :: 3.0070 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 :: 117.2020 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V106 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 :: 173.3980 CA :: 62.0240 CB :: 35.2090 CG1 :: 21.7500 CG2 :: 21.7500 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 :: 7.8500 HA :: 4.2050 HB :: 1.8600 HG11 :: 0.7910 HG12 :: 0.7910 HG13 :: 0.7910 HG21 :: 0.7910 HG22 :: 0.7910 HG23 :: 0.7910 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.5580 Ave N Shift Values>> N :: 121.14(4.54) 1.G107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.41 L 0.28 G 0.06 D 0.06 F 0.05 K 0.03 C 0.03 Y 0.03 C Shift Assignments>> C :: 174.7360 CA :: 43.3320 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.4210 HA2 :: 3.8370 HA3 :: 4.5420 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.9660 Ave N Shift Values>> N :: 109.67(3.87) 1.T108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.84 C 0.14 HN Overlap>> 1.G3 1.G3 C Shift Assignments>> C :: 174.7670 CA :: 65.9530 CB :: 67.2160 CG2 :: 22.9120 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 :: 8.6830 HA :: 3.7140 HB :: 4.1960 HG21 :: 1.1580 HG22 :: 1.1580 HG23 :: 1.1580 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 111.1920 Ave N Shift Values>> N :: 115.42(4.75) 1.D109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.28 F 0.27 C 0.14 D 0.09 I 0.07 L 0.06 N 0.03 C Shift Assignments>> C :: 178.4250 CA :: 57.2680 CB :: 39.4370 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 :: 8.5170 HA :: 4.3510 HB2 :: 2.5990 HB3 :: 2.7060 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 121.1240 Ave N Shift Values>> N :: 120.65(3.86) 1.L110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.44 C 0.43 R 0.1 C Shift Assignments>> C :: 178.4250 CA :: 57.4700 CB :: 41.8540 CG :: 27.1160 CD1 :: 23.8400 CD2 :: 26.4400 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 :: 7.6070 HA :: 4.2700 HB2 :: 1.8410 HB3 :: 1.6940 HG :: 1.5820 HD11 :: 1.0680 HD12 :: 1.0680 HD13 :: 1.0680 HD21 :: 1.0680 HD22 :: 1.0680 HD23 :: 1.0680 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 :: 123.1410 Ave N Shift Values>> N :: 121.86(3.9) 1.L111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 L 0.46 R 0.02 G 0.02 C Shift Assignments>> C :: 178.4560 CA :: 58.1700 CB :: 42.2970 CG :: 25.3900 CD1 :: 24.2900 CD2 :: 25.8100 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 :: 7.4680 HA :: 3.8960 HB2 :: 1.6750 HB3 :: 1.6750 HG :: 1.4440 HD11 :: 0.7160 HD12 :: 0.7160 HD13 :: 0.7160 HD21 :: 0.7520 HD22 :: 0.7520 HD23 :: 0.7520 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 :: 117.3910 Ave N Shift Values>> N :: 121.86(3.9) 1.E112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 I 0.34 E 0.2 K 0.02 C Shift Assignments>> C :: 179.1720 CA :: 61.1160 CB :: 29.6430 CG :: 36.6770 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 :: 8.2630 HA :: 3.7230 HB2 :: 2.1330 HB3 :: 2.1330 HG2 :: 2.0370 HG3 :: 2.3860 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 :: 116.8970 Ave N Shift Values>> N :: 120.67(3.48) 1.E113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 E 0.35 I 0.14 K 0.05 Q 0.02 M 0.02 HN Overlap>> 1.K37 1.R32 1.K38 1.K37 1.R32 1.K38 C Shift Assignments>> C :: 178.7730 CA :: 59.5840 CB :: 29.8510 CG :: 36.3120 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 :: 8.0400 HA :: 3.8970 HB2 :: 2.2040 HB3 :: 2.2040 HG2 :: 2.1830 HG3 :: 2.3370 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 :: 120.8900 Ave N Shift Values>> N :: 120.67(3.48) 1.E114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.37 I 0.12 K 0.06 Q 0.02 M 0.02 C Shift Assignments>> C :: 178.8140 CA :: 58.7330 CB :: 29.6890 CG :: 36.4910 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 :: 8.4150 HA :: 4.0460 HB2 :: 2.0780 HB3 :: 2.2560 HG2 :: 2.5790 HG3 :: 2.5790 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 :: 116.1040 Ave N Shift Values>> N :: 120.67(3.48) 1.I115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 I 0.47 V 0.01 C Shift Assignments>> C :: 177.6310 CA :: 65.5690 CB :: 39.0090 CG1 :: 30.5550 CG2 :: 19.8400 CD1 :: 15.6590 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 :: 8.2610 HA :: 4.0140 HB :: 1.9120 HG12 :: 0.9530 HG13 :: 2.2380 HG21 :: 0.9180 HG22 :: 0.9180 HG23 :: 0.9180 HD11 :: 0.9500 HD12 :: 0.9500 HD13 :: 0.9500 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 :: 118.0640 Ave N Shift Values>> N :: 121.46(4.28) 1.T116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.95 C 0.04 C Shift Assignments>> C :: 176.0440 CA :: 65.2090 CB :: 69.0490 CG2 :: 22.3350 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 :: 8.0990 HA :: 3.7400 HB :: 4.3870 HG21 :: 1.2740 HG22 :: 1.2740 HG23 :: 1.2740 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 :: 108.0880 Ave N Shift Values>> N :: 115.42(4.75) 1.K117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 K 0.39 R 0.15 G 0.01 C Shift Assignments>> C :: 178.8300 CA :: 58.6790 CB :: 32.0650 CG :: 25.2910 CD :: 29.5940 CE :: 42.3830 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 :: 7.0620 HA :: 4.1690 HB2 :: 1.6240 HB3 :: 1.6240 HG2 :: 1.3160 HG3 :: 1.3160 HD2 :: 1.5320 HD3 :: 1.5320 HE2 :: 2.7770 HE3 :: 2.7770 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 :: 119.5480 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 Y 0.23 F 0.22 C Shift Assignments>> C :: 177.6310 CA :: 57.6550 CB :: 35.3560 CD1 :: 131.5870 CD2 :: 131.5870 CE1 :: 131.5870 CE2 :: 131.5870 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.4180 HA :: 5.0990 HB2 :: 3.4150 HB3 :: 3.1570 HD1 :: 7.2540 HD2 :: 7.2540 HE1 :: 7.0600 HE2 :: 7.0600 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 121.5150 Ave N Shift Values>> N :: 120.45(4.18) 1.E119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 E 0.39 I 0.07 M 0.06 K 0.03 Q 0.02 C Shift Assignments>> C :: 177.6620 CA :: 58.7430 CB :: 30.5020 CG :: 36.4880 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 :: 8.0420 HA :: 4.5090 HB2 :: 2.2300 HB3 :: 2.2300 HG2 :: 2.4380 HG3 :: 2.4380 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.4200 Ave N Shift Values>> N :: 120.67(3.48) 1.E120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 E 0.33 I 0.16 K 0.09 Q 0.04 C Shift Assignments>> C :: 176.7130 CA :: 58.7700 CB :: 28.7550 CG :: 36.1850 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.4080 HA :: 4.0050 HB2 :: 1.7060 HB3 :: 1.4960 HG2 :: 1.9140 HG3 :: 2.1300 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.8000 Ave N Shift Values>> N :: 120.67(3.48) 1.H121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.69 Y 0.12 H 0.12 W 0.05 C Shift Assignments>> C :: 173.9580 CA :: 57.5510 CB :: 35.2230 CD2 :: 117.8850 CE1 :: 138.3410 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 :: 7.4790 HA :: 5.1170 HB2 :: 3.1120 HB3 :: 2.8200 HD2 :: 6.9990 HE1 :: 7.8460 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 :: 113.0280 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.V122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.72 C 0.27 C Shift Assignments>> C :: 173.2730 CA :: 62.9670 CB :: 33.8710 CG1 :: 21.3620 CG2 :: 21.3620 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 :: 8.1070 HA :: 3.5960 HB :: 1.8870 HG11 :: 0.5540 HG12 :: 0.5540 HG13 :: 0.5540 HG21 :: 0.9100 HG22 :: 0.9100 HG23 :: 0.9100 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 116.7660 Ave N Shift Values>> N :: 121.14(4.54) 1.Q123 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Q 0.3 K 0.27 C 0.24 E 0.08 R 0.04 M 0.03 HN Overlap>> 1.A82 1.A82 C Shift Assignments>> C :: 175.7790 CA :: 56.3920 CB :: 28.8530 CG :: 33.9930 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 :: 8.5160 HA :: 2.7840(S) HB2 :: 1.0430(S) HB3 :: 0.2120(S) HG2 :: 1.6670 HG3 :: 1.6670 HE21 :: 7.2430 HE22 :: 7.0660 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 :: 126.3600 NE2 :: 112.3250 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.S124 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 :: 171.2940 CA :: 57.8370 CB :: 65.3440 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.3480 HA :: 4.4050 HB2 :: 3.7420 HB3 :: 3.7420 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 :: 109.0300 Ave N Shift Values>> N :: 116.28(3.52) 1.V125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.68 V 0.31 C Shift Assignments>> C :: 172.9770 CA :: 60.1010 CB :: 35.2690 CG1 :: 21.2260 CG2 :: 23.2640 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 :: 8.5980 HA :: 5.0230 HB :: 1.8510 HG11 :: 0.8830 HG12 :: 0.8830 HG13 :: 0.8830 HG21 :: 0.9350 HG22 :: 0.9350 HG23 :: 0.9350 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.3220 Ave N Shift Values>> N :: 121.14(4.54) 1.D126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.82 L 0.1 C 0.02 D 0.01 R 0.01 C Shift Assignments>> C :: 174.8140 CA :: 52.5660 CB :: 45.1450 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 :: 8.9060 HA :: 5.0900 HB2 :: 2.6020 HB3 :: 2.4570 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 :: 124.3800 Ave N Shift Values>> N :: 120.65(3.86) 1.I127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 I 0.49 C Shift Assignments>> C :: 175.3280 CA :: 60.6500 CB :: 36.1450 CG1 :: 27.4700 CG2 :: 18.3420 CD1 :: 11.5080 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.9120 HA :: 4.2180 HB :: 2.0480 HG12 :: 1.4420 HG13 :: 1.3310 HG21 :: 0.8840 HG22 :: 0.8840 HG23 :: 0.8840 HD11 :: 0.7560 HD12 :: 0.7560 HD13 :: 0.7560 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 122.9480 Ave N Shift Values>> N :: 121.46(4.28) 1.A128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.79 M 0.15 C 0.02 L 0.01 C Shift Assignments>> C :: 177.9740 CA :: 53.5680 CB :: 19.3250 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.0080 HA :: 4.3230 HB1 :: 1.2240 HB2 :: 1.2240 HB3 :: 1.2240 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 133.6900 Ave N Shift Values>> N :: 123.23(3.54) 1.A129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.57 L 0.3 C 0.09 C Shift Assignments>> C :: 174.8920 CA :: 52.7260 CB :: 21.7830 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.9910 HA :: 4.5050 HB1 :: 1.4040 HB2 :: 1.4040 HB3 :: 1.4040 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.3830 Ave N Shift Values>> N :: 123.23(3.54) 1.F130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.47 Y 0.36 C 0.15 HN Overlap>> 1.E19 1.E19 1.D20 1.D20 C Shift Assignments>> C :: 173.9660 CA :: 57.3500 CB :: 41.3310 CD1 :: 131.5870 CD2 :: 131.5870 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 :: 8.4260 HA :: 5.1320 HB2 :: 3.0900 HB3 :: 2.7890 HD1 :: 7.0550 HD2 :: 7.0550 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 :: 122.1040 Ave N Shift Values>> N :: 120.45(4.18) 1.N131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 D 0.27 R 0.14 K 0.07 C 0.04 N 0.04 G 0.03 F 0.03 Y 0.02 C Shift Assignments>> C :: 173.3350 CA :: 52.5890 CB :: 42.6760 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 :: 8.7290 HA :: 5.0170 HB2 :: 2.5560 HB3 :: 2.6980 HD21 :: 6.9490 HD22 :: 7.6100 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 :: 123.2770 ND2 :: 114.1560 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.44 C 0.4 R 0.14 G 0.01 HN Overlap>> 1.K47 1.K47 C Shift Assignments>> C :: 176.4170 CA :: 56.7970 CB :: 32.4870 CG :: 24.7730 CD :: 29.2350 CE :: 42.3300 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 :: 8.6360 HA :: 4.5510 HB2 :: 1.8510 HB3 :: 1.7230 HG2 :: 1.5790 HG3 :: 1.5790 HD2 :: 1.6950 HD3 :: 1.6950 HE2 :: 3.0090 HE3 :: 3.0090 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 123.6920 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.81 C 0.18 C Shift Assignments>> C :: 180.9780 CA :: 63.5020 CB :: 39.4720 CG1 :: 27.7370 CG2 :: 18.0400 CD1 :: 14.4300 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 :: 8.0620 HA :: 4.1090 HB :: 1.7400 HG12 :: 0.8920 HG13 :: 1.3340 HG21 :: 0.8330 HG22 :: 0.8330 HG23 :: 0.8330 HD11 :: 0.7770 HD12 :: 0.7770 HD13 :: 0.7770 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 :: 128.4810 Ave N Shift Values>> N :: 121.46(4.28) ########################################################################### Overall Results: #Consistent: 129 #Clerical: 0 #Suspicious: 4 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 132 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 1 Shift Relative Order (SRO) Results: #Consistent: 132 #Suspicious: 1 C Shift Results: #Consistent: 579 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 924 #Duplicate: 0 #Unknown: 0 #Suspicious: 7 #Anomalous: 0 N Shift Results: #Consistent: 137 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.C69 HB3 = 0.5870(S), Expected = 2.89, Std = 0.4600, ChiSquare = 5.5422e-07 1.R71 HA = 2.7540(S), Expected = 4.30, Std = 0.4600, ChiSquare = 7.7698e-04 1.R71 SRO Rule Break>> HA > HD2 : 0.991153846153846 1.Q96 HA = 5.9540(S), Expected = 4.27, Std = 0.4400, ChiSquare = 1.2957e-04 1.Q96 HE21 = 9.1210(S), Expected = 7.24, Std = 0.4500, ChiSquare = 2.9151e-05 1.Q123 HA = 2.7840(S), Expected = 4.27, Std = 0.4400, ChiSquare = 7.3208e-04 1.Q123 HB2 = 1.0430(S), Expected = 2.05, Std = 0.2500, ChiSquare = 5.6253e-05 1.Q123 HB3 = 0.2120(S), Expected = 2.02, Std = 0.2800, ChiSquare = 1.0670e-10