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.S2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.M4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.51 C 0.38 A 0.09 C Shift Assignments>> C :: 176.4750 CA :: 55.6800 CB :: 32.6210 CG :: 32.6490 CE :: 16.5510 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>> HA :: 4.5100 HB2 :: 1.8970 HB3 :: 2.0260 HG2 :: 2.4000 HG3 :: 2.4790 HE1 :: 2.0250 HE2 :: 2.0250 HE3 :: 2.0250 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 :: 123.6100 Ave N Shift Values>> N :: 120.09(3.57) 1.G5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.83 L 0.1 C 0.02 R 0.01 F 0.01 C Shift Assignments>> C :: 173.7640 CA :: 45.2690 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.4290 HA2 :: 3.9650 HA3 :: 4.0690 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.9610 Ave N Shift Values>> N :: 109.67(3.87) 1.D6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.25 K 0.14 F 0.09 N 0.08 C 0.05 R 0.02 C Shift Assignments>> C :: 175.5550 CA :: 54.4240 CB :: 41.3940 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 :: 8.2530 HA :: 4.6740 HB2 :: 2.5420 HB3 :: 2.6260 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 :: 121.9180 Ave N Shift Values>> N :: 120.65(3.86) 1.R7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.46 C 0.38 G 0.11 K 0.04 C Shift Assignments>> C :: 175.5140 CA :: 55.7480 CB :: 31.9620 CG :: 27.1150 CD :: 43.7170 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 :: 8.1460 HA :: 4.8390 HB2 :: 1.7130 HB3 :: 1.7280 HG2 :: 1.3760 HG3 :: 1.4410 HD3 :: 3.0830 HE :: 7.4070 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 :: 121.4250 NE :: 85.9450 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.V8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.6 C 0.39 C Shift Assignments>> C :: 174.0780 CA :: 61.4560 CB :: 33.6920 CG1 :: 21.5820 CG2 :: 20.5750 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 :: 8.4290 HA :: 4.4420 HB :: 2.0070 HG11 :: 0.8350 HG12 :: 0.8350 HG13 :: 0.8350 HG21 :: 0.8500 HG22 :: 0.8500 HG23 :: 0.8500 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 :: 124.9250 Ave N Shift Values>> N :: 121.14(4.54) 1.E9 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.58 M 0.31 E 0.08 Q 0.01 C Shift Assignments>> C :: 174.7350 CA :: 54.1270 CB :: 33.7740 CG :: 35.6680 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 :: 8.3620 HA :: 5.6370(S) HB2 :: 1.6880 HB3 :: 1.7510 HG2 :: 1.9100 HG3 :: 1.9820 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 :: 123.1420 Ave N Shift Values>> N :: 120.67(3.48) 1.A10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.16 A 0.12 K 0.09 C Shift Assignments>> C :: 175.3020 CA :: 51.5470 CB :: 23.5590 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.9450 HA :: 4.7100 HB1 :: 1.3940 HB2 :: 1.3940 HB3 :: 1.3940 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.2610 Ave N Shift Values>> N :: 123.23(3.54) 1.L11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 C 0.29 R 0.1 G 0.04 C Shift Assignments>> C :: 176.1820 CA :: 55.5880 CB :: 42.9590 CG :: 27.6180 CD1 :: 24.0970 CD2 :: 25.1030 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 :: 8.5520 HA :: 4.9140 HB2 :: 1.5440 HB3 :: 1.7450 HG :: 1.7000 HD11 :: 0.8700 HD12 :: 0.8700 HD13 :: 0.8700 HD21 :: 0.9530 HD22 :: 0.9530 HD23 :: 0.9530 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 :: 124.3690 Ave N Shift Values>> N :: 121.86(3.9) 1.A12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.15 A 0.14 K 0.08 C Shift Assignments>> C :: 176.5960 CA :: 51.6840 CB :: 23.4350 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.8560 HA :: 4.4930 HB1 :: 0.8740 HB2 :: 0.8740 HB3 :: 0.8740 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.7610 Ave N Shift Values>> N :: 123.23(3.54) 1.I13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.5 C 0.49 C Shift Assignments>> C :: 174.9380 CA :: 60.3370 CB :: 38.9640 CG1 :: 30.1340 CG2 :: 17.5570 CD1 :: 14.0360 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 :: 9.6270 HA :: 5.1540 HB :: 1.7780 HG12 :: 1.0570 HG13 :: 1.3040 HG21 :: 0.6110 HG22 :: 0.6110 HG23 :: 0.6110 HD11 :: 0.7780 HD12 :: 0.7780 HD13 :: 0.7780 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 :: 127.8370 Ave N Shift Values>> N :: 121.46(4.28) 1.F14 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> F 0.73 C 0.26 C Shift Assignments>> C :: 174.5630 CA :: 55.7480 CB :: 39.8700 CD1 :: 132.2060 CE1 :: 130.5520 CZ :: 129.2960 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 :: 8.8280 HA :: 4.7680 HB2 :: 1.3990(S) HB3 :: 0.6200(S) HD1 :: 6.2190 HE1 :: 6.7630 HZ :: 6.8720 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 :: 129.2460 Ave N Shift Values>> N :: 120.45(4.18) 1.R15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.38 C 0.32 R 0.14 G 0.11 K 0.03 C Shift Assignments>> C :: 175.5550 CA :: 57.1860 CB :: 27.1010 CG :: 26.1090 CD :: 43.7170 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 9.2280 HA :: 3.4370 HB2 :: 1.0550 HB3 :: 1.3690 HG3 :: 0.6620 HD2 :: 2.5510 HD3 :: 2.6070 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 :: 129.0570 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.K16 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> C 0.44 K 0.31 R 0.22 C Shift Assignments>> C :: 175.4940 CA :: 58.3960 CB :: 30.1080 CG :: 25.6060 CD :: 29.1280 CE :: 42.2080 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 :: 8.3670 HA :: 3.4390 HB2 :: 2.0640 HB3 :: 1.8740 HG2 :: 1.1000 HG3 :: 1.1100 HD2 :: 1.4720 HD3 :: 1.5290 HE3 :: 2.8120 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 :: 107.9350(S) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.53 C 0.37 R 0.06 G 0.01 HN Overlap>> 1.A45 1.A45 C Shift Assignments>> C :: 175.1300 CA :: 54.4010 CB :: 35.0920 CG :: 24.6000 CD :: 28.6250 CE :: 42.2080 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 :: 7.8050 HA :: 4.9100 HB2 :: 2.1620 HB3 :: 2.2480 HG2 :: 1.5300 HG3 :: 1.6510 HD2 :: 1.8210 HD3 :: 1.8470 HE2 :: 3.0440 HE3 :: 3.1030 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 122.3910 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.28 C 0.28 Q 0.18 M 0.11 K 0.11 I 0.01 C Shift Assignments>> C :: 176.2220 CA :: 57.1640 CB :: 30.2730 CG :: 35.1650 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 :: 9.0160 HA :: 4.6370 HB2 :: 2.1070 HB3 :: 2.0470 HG2 :: 2.2610 HG3 :: 2.3330 HE21 :: 7.7130 HE22 :: 6.6900 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 :: 122.7560 NE2 :: 113.2810 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.06 C 0.03 C Shift Assignments>> C :: 170.6800 CA :: 46.0220 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.3150 HA2 :: 3.7000 HA3 :: 4.0800 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 114.1710 Ave N Shift Values>> N :: 109.67(3.87) 1.V20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.56 C 0.43 C Shift Assignments>> C :: 175.3730 CA :: 61.4100 CB :: 34.9270 CG1 :: 21.0780 CG2 :: 21.5820 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 :: 7.9640 HA :: 4.4670 HB :: 1.5520 HG11 :: 0.5970 HG12 :: 0.5970 HG13 :: 0.5970 HG21 :: 0.7090 HG22 :: 0.7090 HG23 :: 0.7090 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 :: 120.5900 Ave N Shift Values>> N :: 121.14(4.54) 1.L21 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> G 0.63 C 0.16 L 0.16 A 0.03 C Shift Assignments>> C :: 174.1180 CA :: 53.3970 CB :: 45.5540 CG :: 27.1150 CD1 :: 23.5940 CD2 :: 26.6120 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 :: 9.4860 HA :: 5.2280 HB2 :: 1.0960 HB3 :: 1.8910 HG :: 1.2050 HD11 :: 0.0920 HD12 :: 0.0920 HD13 :: 0.0920 HD21 :: 0.4340 HD22 :: 0.4340 HD23 :: 0.4340 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 :: 135.5010(S) Ave N Shift Values>> N :: 121.86(3.9) 1.S22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.54 T 0.45 C Shift Assignments>> C :: 172.9250 CA :: 56.2050 CB :: 67.3430 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.8060 HA :: 5.5250 HB2 :: 3.6370 HB3 :: 3.4760 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 121.0740 Ave N Shift Values>> N :: 116.28(3.52) 1.I23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.57 C 0.42 C Shift Assignments>> C :: 175.3320 CA :: 59.9260 CB :: 39.8700 CG1 :: 27.6180 CG2 :: 18.0600 CD1 :: 15.0420 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 :: 8.7590 HA :: 4.8620 HB :: 1.8410 HG12 :: 1.0750 HG13 :: 1.4150 HG21 :: 0.8940 HG22 :: 0.8940 HG23 :: 0.8940 HD11 :: 0.7860 HD12 :: 0.7860 HD13 :: 0.7860 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 :: 122.6770 Ave N Shift Values>> N :: 121.46(4.28) 1.D24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 L 0.2 N 0.15 F 0.14 C 0.08 K 0.05 C Shift Assignments>> C :: 174.8770 CA :: 54.7660 CB :: 40.5290 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 :: 8.3410 HA :: 4.9200 HB2 :: 2.7670 HB3 :: 2.9930 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 127.6520 Ave N Shift Values>> N :: 120.65(3.86) 1.S25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.2490 CA :: 59.6520 CB :: 63.7600 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.7340 HA :: 4.6260 HB2 :: 3.9670 HB3 :: 3.8220 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 122.2020 Ave N Shift Values>> N :: 116.28(3.52) 1.R26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 K 0.21 R 0.13 G 0.11 C Shift Assignments>> C :: 173.9870 CA :: 54.6520 CB :: 35.1330 CG :: 28.1210 CD :: 43.2140 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 :: 8.0230 HA :: 3.4470 HB2 :: 1.0890 HB3 :: 1.7260 HG2 :: 1.2730 HG3 :: 1.3470 HD2 :: 2.8630 HD3 :: 2.9740 HE :: 8.6670 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 :: 122.0140 NE :: 87.4440 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.L27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 C 0.25 R 0.15 G 0.06 C Shift Assignments>> C :: 174.2400 CA :: 54.6290 CB :: 43.1650 CG :: 27.6180 CD1 :: 25.6060 CD2 :: 25.6060 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 :: 8.6130 HA :: 5.1070 HB2 :: 1.1960 HB3 :: 1.8780 HG :: 1.2700 HD11 :: 0.7710 HD12 :: 0.7710 HD13 :: 0.7710 HD21 :: 0.6700 HD22 :: 0.6700 HD23 :: 0.6700 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 :: 125.1170 Ave N Shift Values>> N :: 121.86(3.9) 1.K28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 R 0.42 K 0.04 G 0.02 HN Overlap>> 1.F78 1.F78 C Shift Assignments>> C :: 175.0690 CA :: 53.8530 CB :: 37.9750 CG :: 25.6060 CD :: 30.1340 CE :: 42.2080 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 :: 8.8830 HA :: 5.5320 HB3 :: 1.5680 HG2 :: 1.1080 HG3 :: 1.3500 HD2 :: 1.3980 HD3 :: 1.4690 HE2 :: 2.7030 HE3 :: 2.7810 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 :: 125.6760 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.W29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.66 W 0.33 HN Overlap>> 1.K58 1.K58 C Shift Assignments>> C :: 175.4230 CA :: 57.8940 CB :: 32.4150 CD1 :: 124.4000 CE3 :: 121.0650 CZ2 :: 115.0510 CZ3 :: 122.2910 CH2 :: 125.6660 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 :: 8.4450 HA :: 5.4450 HB2 :: 2.5240 HB3 :: 2.8670 HD1 :: 6.5320 HE1 :: 9.4170 HE3 :: 7.3980 HZ2 :: 7.7110 HZ3 :: 7.1540 HH2 :: 7.1340 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 :: 120.7900 NE1 :: 127.3300 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.T30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.87 C 0.12 C Shift Assignments>> C :: 173.1980 CA :: 61.1360 CB :: 70.3500 CG2 :: 20.0720 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 :: 7.6370 HA :: 4.3510 HB :: 3.3990 HG21 :: 0.7940 HG22 :: 0.7940 HG23 :: 0.7940 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 :: 126.0520 Ave N Shift Values>> N :: 115.42(4.75) 1.G31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.07 C 0.03 C Shift Assignments>> C :: 173.1780 CA :: 46.0000 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.3450 HA3 :: 3.4440 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 118.7280 Ave N Shift Values>> N :: 109.67(3.87) 1.E32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.34 K 0.09 I 0.07 Q 0.06 M 0.03 C Shift Assignments>> C :: 178.0120 CA :: 57.9850 CB :: 29.6550 CG :: 36.1710 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 :: 8.2840 HA :: 4.1200 HB3 :: 1.9070 HG2 :: 2.1450 HG3 :: 2.1830 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 :: 123.7980 Ave N Shift Values>> N :: 120.67(3.48) 1.G33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.08 C 0.03 C Shift Assignments>> C :: 173.9670 CA :: 45.6570 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.9580 HA2 :: 3.7830 HA3 :: 4.1980 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 115.5330 Ave N Shift Values>> N :: 109.67(3.87) 1.K34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.48 C 0.31 R 0.17 A 0.01 G 0.01 HN Overlap>> 1.Q104 1.Q104 C Shift Assignments>> C :: 176.8490 CA :: 53.9900 CB :: 33.4860 CG :: 24.0970 CD :: 28.1210 CE :: 42.2080 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 :: 7.8860 HA :: 4.7540 HB2 :: 1.8590 HB3 :: 1.9520 HG2 :: 1.1720 HG3 :: 1.4520 HD3 :: 1.6470 HE2 :: 2.9710 HE3 :: 3.0370 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 :: 120.3020 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 C Shift Assignments>> CA :: 62.0870 CB :: 69.5560 CG2 :: 21.5820 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 :: 8.5660 HA :: 4.4440 HB :: 4.2980 HG21 :: 1.0990 HG22 :: 1.0990 HG23 :: 1.0990 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 :: 109.9940 Ave N Shift Values>> N :: 115.42(4.75) 1.T36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.76 C 0.22 A 0.01 C Shift Assignments>> C :: 172.0550 CA :: 58.8300 CB :: 70.5150 CG2 :: 21.0780 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 :: 7.5990 HA :: 4.8540 HB :: 4.0710 HG21 :: 1.2210 HG22 :: 1.2210 HG23 :: 1.2210 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 118.1060 Ave N Shift Values>> N :: 115.42(4.75) 1.P37 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 :: 177.5560 CA :: 63.3360 CB :: 32.6490 CG :: 27.1150 CD :: 51.2620 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 :: 4.7710 HB2 :: 1.9940 HB3 :: 2.2100 HG3 :: 1.8440 HD2 :: 3.7870 HD3 :: 3.8510 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.S38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.6040 CA :: 59.5380 CB :: 64.4190 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.8380 HA :: 4.9090 HB2 :: 4.1490 HB3 :: 4.3460 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 119.5700 Ave N Shift Values>> N :: 116.28(3.52) 1.V39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.57 C 0.42 C Shift Assignments>> C :: 174.3410 CA :: 61.7070 CB :: 35.2980 CG1 :: 21.5820 CG2 :: 21.0780 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 :: 7.9000 HA :: 4.2400 HB :: 1.8890 HG11 :: 0.7760 HG12 :: 0.7760 HG13 :: 0.7760 HG21 :: 0.4280 HG22 :: 0.4280 HG23 :: 0.4280 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 :: 122.4820 Ave N Shift Values>> N :: 121.14(4.54) 1.D40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.35 L 0.24 N 0.11 K 0.11 F 0.09 C 0.05 R 0.01 C Shift Assignments>> C :: 175.3620 CA :: 54.0590 CB :: 41.2290 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 :: 8.6100 HA :: 5.2180 HB2 :: 2.3020 HB3 :: 2.6130 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 :: 128.3020 Ave N Shift Values>> N :: 120.65(3.86) 1.I41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 I 0.45 G 0.01 C Shift Assignments>> C :: 174.0780 CA :: 59.1500 CB :: 42.1350 CG1 :: 27.1150 CG2 :: 17.5570 CD1 :: 13.5330 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 :: 9.4070 HA :: 4.5090 HB :: 1.7290 HG12 :: 1.0960 HG13 :: 1.3290 HG21 :: 0.8790 HG22 :: 0.8790 HG23 :: 0.8790 HD11 :: 0.7110 HD12 :: 0.7110 HD13 :: 0.7110 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 :: 125.3970 Ave N Shift Values>> N :: 121.46(4.28) 1.A42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.94 M 0.02 C 0.02 L 0.01 C Shift Assignments>> C :: 179.4690 CA :: 50.8400 CB :: 20.0580 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.4420 HA :: 4.3340 HB1 :: 1.4090 HB2 :: 1.4090 HB3 :: 1.4090 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 128.4450 Ave N Shift Values>> N :: 123.23(3.54) 1.F43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 F 0.45 C Shift Assignments>> C :: 178.0730 CA :: 59.2410 CB :: 37.5630 CD1 :: 130.3580 CE1 :: 131.9950 CZ :: 130.0680 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 :: 8.8440 HA :: 4.4810 HB2 :: 2.8710 HB3 :: 3.1620 HD1 :: 7.0590 HE1 :: 7.0140 HZ :: 6.9020 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 120.4330 Ave N Shift Values>> N :: 120.45(4.18) 1.D44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.28 D 0.27 F 0.16 L 0.12 C 0.11 I 0.01 C Shift Assignments>> C :: 176.1510 CA :: 54.7660 CB :: 39.4990 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 :: 8.4600 HA :: 4.4770 HB2 :: 2.7560 HB3 :: 2.5850 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 114.0300 Ave N Shift Values>> N :: 120.65(3.86) 1.A45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.89 M 0.08 C 0.01 HN Overlap>> 1.K17 1.K17 C Shift Assignments>> C :: 176.4350 CA :: 52.0950 CB :: 19.1520 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.7430 HA :: 4.5370 HB1 :: 1.5740 HB2 :: 1.5740 HB3 :: 1.5740 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.4040 Ave N Shift Values>> N :: 123.23(3.54) 1.I46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.67 C 0.32 C Shift Assignments>> C :: 175.9590 CA :: 61.7070 CB :: 38.5520 CG1 :: 27.6180 CG2 :: 17.5570 CD1 :: 15.5450 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 :: 7.4240 HA :: 4.5590 HB :: 2.0440 HG12 :: 0.6920 HG13 :: 1.9470 HG21 :: 0.9080 HG22 :: 0.9080 HG23 :: 0.9080 HD11 :: 0.9650 HD12 :: 0.9650 HD13 :: 0.9650 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 119.6650 Ave N Shift Values>> N :: 121.46(4.28) 1.S47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.2310 CA :: 58.9210 CB :: 64.1720 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.2670 HA :: 4.4900 HB2 :: 3.7850 HB3 :: 3.5670 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 :: 124.4550 Ave N Shift Values>> N :: 116.28(3.52) 1.N48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.38 N 0.23 L 0.18 F 0.06 C 0.05 K 0.04 C Shift Assignments>> C :: 172.0550 CA :: 52.8940 CB :: 40.8580 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.8330 HA :: 4.9010 HB2 :: 2.4310 HB3 :: 2.8310 HD21 :: 7.1280 HD22 :: 6.6480 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 117.2200 ND2 :: 113.2570 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.61 C 0.23 L 0.14 C Shift Assignments>> C :: 175.3320 CA :: 54.2640 CB :: 45.5950 CG :: 27.1150 CD1 :: 26.6120 CD2 :: 26.6120 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 :: 8.5680 HA :: 5.5610 HB3 :: 1.5780 HG :: 1.6380 HD11 :: 0.9060 HD12 :: 0.9060 HD13 :: 0.9060 HD21 :: 0.8800 HD22 :: 0.8800 HD23 :: 0.8800 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.0220 Ave N Shift Values>> N :: 121.86(3.9) 1.Q50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.49 C 0.37 Q 0.1 E 0.02 C Shift Assignments>> C :: 174.5330 CA :: 54.8810 CB :: 33.0740 CG :: 33.6550 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 :: 9.3390 HA :: 4.9450 HB2 :: 2.1630 HB3 :: 2.0390 HG2 :: 2.3640 HG3 :: 2.3910 HE21 :: 7.4770 HE22 :: 6.7960 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 :: 123.2320 NE2 :: 112.5870 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.T51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.77 C 0.22 C Shift Assignments>> C :: 174.6650 CA :: 60.0630 CB :: 71.0500 CG2 :: 22.0850 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 :: 8.8280 HA :: 5.2750 HB :: 4.0870 HG21 :: 1.1900 HG22 :: 1.1900 HG23 :: 1.1900 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 :: 120.7960 Ave N Shift Values>> N :: 115.42(4.75) 1.T52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.8 T 0.19 C Shift Assignments>> C :: 173.4100 CA :: 59.3550 CB :: 69.1970 CG2 :: 24.0970 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 :: 8.4250 HA :: 4.7600 HB :: 4.3600 HG21 :: 1.3480 HG22 :: 1.3480 HG23 :: 1.3480 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 :: 116.5860 Ave N Shift Values>> N :: 115.42(4.75) 1.P53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.64 C 0.35 C Shift Assignments>> C :: 177.7710 CA :: 62.3300 CB :: 32.6490 CG :: 27.6180 CD :: 50.7590 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 :: 4.7400 HB2 :: 2.0880 HB3 :: 2.3790 HG2 :: 2.0300 HG3 :: 2.1060 HD2 :: 3.6560 HD3 :: 3.8820 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.A54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.51 A 0.42 I 0.02 C 0.02 C Shift Assignments>> C :: 177.8420 CA :: 54.9220 CB :: 18.0620 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.9150 HA :: 4.0580 HB1 :: 1.4090 HB2 :: 1.4090 HB3 :: 1.4090 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.7380 Ave N Shift Values>> N :: 123.23(3.54) 1.S55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.2900 CA :: 58.4650 CB :: 63.1420 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.7830 HA :: 4.2760 HB2 :: 3.7930 HB3 :: 4.0050 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 :: 109.6180 Ave N Shift Values>> N :: 116.28(3.52) 1.N56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.42 D 0.34 L 0.1 C 0.07 F 0.03 K 0.01 C Shift Assignments>> C :: 173.8250 CA :: 50.7710 CB :: 40.5290 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 :: 8.0500 HA :: 5.0640 HB2 :: 2.5900 HB3 :: 3.2130 HD21 :: 7.5960 HD22 :: 7.0900 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 :: 126.5080 ND2 :: 113.7520 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.P57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.79 C 0.2 C Shift Assignments>> C :: 177.5580 CA :: 63.8390 CB :: 32.1460 CG :: 27.1150 CD :: 50.7590 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 :: 4.4520 HB2 :: 1.9550 HB3 :: 2.3060 HG2 :: 1.9230 HG3 :: 2.0290 HD3 :: 3.8580 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.K58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.49 C 0.34 R 0.15 HN Overlap>> 1.W29 1.W29 C Shift Assignments>> C :: 174.6850 CA :: 55.4740 CB :: 32.3730 CG :: 25.1030 CD :: 29.1280 CE :: 42.2080 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 :: 8.4890 HA :: 4.5880 HB2 :: 1.6970 HB3 :: 1.7490 HG2 :: 1.3180 HG3 :: 1.4740 HD2 :: 1.6630 HD3 :: 1.6920 HE3 :: 2.9580 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 :: 120.7210 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 V 0.48 C Shift Assignments>> C :: 174.9480 CA :: 61.9810 CB :: 31.8380 CG1 :: 23.5940 CG2 :: 20.0720 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 :: 8.6200 HA :: 4.0510 HB :: 1.9650 HG11 :: 0.7930 HG12 :: 0.7930 HG13 :: 0.7930 HG21 :: 0.9050 HG22 :: 0.9050 HG23 :: 0.9050 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 :: 125.9580 Ave N Shift Values>> N :: 121.14(4.54) 1.M60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 A 0.32 M 0.27 I 0.01 C Shift Assignments>> C :: 173.6630 CA :: 54.8810 CB :: 36.8630 CG :: 31.1400 CE :: 17.5570 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 :: 8.1190 HA :: 5.6750 HB2 :: 1.6070 HB3 :: 1.8710 HG2 :: 2.0460 HG3 :: 2.2200 HE1 :: 1.8620 HE2 :: 1.8620 HE3 :: 1.8620 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 :: 125.7710 Ave N Shift Values>> N :: 120.09(3.57) 1.I61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 I 0.34 G 0.05 C Shift Assignments>> C :: 173.0870 CA :: 60.4510 CB :: 42.8360 CG1 :: 28.1210 CG2 :: 17.5570 CD1 :: 15.0420 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 :: 8.8410 HA :: 4.9190 HB :: 1.7140 HG12 :: 1.0480 HG13 :: 1.7530 HG21 :: 0.9670 HG22 :: 0.9670 HG23 :: 0.9670 HD11 :: 0.8520 HD12 :: 0.8520 HD13 :: 0.8520 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 :: 118.7260 Ave N Shift Values>> N :: 121.46(4.28) 1.R62 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.4 C 0.36 G 0.16 K 0.07 C Shift Assignments>> C :: 174.2600 CA :: 54.4010 CB :: 32.9090 CG :: 27.6180 CD :: 43.7170 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 9.1670 HA :: 5.1290 HB2 :: 1.4880 HB3 :: 1.5510 HG2 :: 0.6730(S) HG3 :: 1.0380 HD3 :: 2.8880 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 :: 128.0240 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.V63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.58 C 0.41 C Shift Assignments>> C :: 174.6340 CA :: 61.2500 CB :: 33.7330 CG1 :: 22.0850 CG2 :: 21.0780 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 :: 9.3210 HA :: 4.5150 HB :: 2.0770 HG11 :: 0.9070 HG12 :: 0.9070 HG13 :: 0.9070 HG21 :: 0.9300 HG22 :: 0.9300 HG23 :: 0.9300 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 :: 127.1800 Ave N Shift Values>> N :: 121.14(4.54) 1.F64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.67 C 0.32 C Shift Assignments>> C :: 175.3930 CA :: 57.7800 CB :: 39.8290 CD1 :: 132.3340 CE1 :: 131.1510 CZ :: 129.7250 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 :: 8.7730 HA :: 4.9610 HB2 :: 2.9320 HB3 :: 2.8790 HD1 :: 7.0330 HE1 :: 7.0960 HZ :: 7.1130 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 :: 127.0910 Ave N Shift Values>> N :: 120.45(4.18) 1.I65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.55 C 0.43 A 0.01 C Shift Assignments>> C :: 175.9790 CA :: 58.5330 CB :: 40.1170 CG1 :: 26.6120 CG2 :: 17.5570 CD1 :: 13.0300 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 :: 8.4630 HA :: 5.2540 HB :: 1.8100 HG12 :: 1.0720 HG13 :: 1.3320 HG21 :: 0.9040 HG22 :: 0.9040 HG23 :: 0.9040 HD11 :: 0.6970 HD12 :: 0.6970 HD13 :: 0.6970 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 :: 122.3870 Ave N Shift Values>> N :: 121.46(4.28) 1.V66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.74 C 0.25 C Shift Assignments>> C :: 175.8880 CA :: 63.2140 CB :: 32.6210 CG1 :: 21.0780 CG2 :: 21.0780 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 :: 8.8340 HA :: 4.1080 HB :: 1.9270 HG11 :: 0.8520 HG12 :: 0.8520 HG13 :: 0.8520 HG21 :: 0.9160 HG22 :: 0.9160 HG23 :: 0.9160 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 126.6200 Ave N Shift Values>> N :: 121.14(4.54) 1.V67 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 :: 176.1110 CA :: 61.7300 CB :: 33.4860 CG1 :: 21.5820 CG2 :: 19.5690 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 :: 8.4410 HA :: 4.3860 HB :: 2.1900 HG11 :: 0.9360 HG12 :: 0.9360 HG13 :: 0.9360 HG21 :: 0.8620 HG22 :: 0.8620 HG23 :: 0.8620 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 :: 125.6500 Ave N Shift Values>> N :: 121.14(4.54) 1.K68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.52 C 0.38 R 0.07 G 0.01 C Shift Assignments>> C :: 175.6250 CA :: 55.5650 CB :: 34.1450 CG :: 24.6000 CD :: 29.1280 CE :: 42.2080 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 :: 8.1590 HA :: 4.4270 HB2 :: 1.6030 HB3 :: 1.7340 HG3 :: 1.3920 HD3 :: 1.6410 HE3 :: 2.9510 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 123.4440 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.34 K 0.09 I 0.09 Q 0.05 M 0.02 HN Overlap>> 1.D91 1.D72 1.D91 1.D72 C Shift Assignments>> C :: 177.4660 CA :: 58.1910 CB :: 29.4490 CG :: 36.1710 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 :: 8.6110 HA :: 4.1000 HB3 :: 1.9520 HG3 :: 2.2220 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 :: 123.9860 Ave N Shift Values>> N :: 120.67(3.48) 1.G70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.83 L 0.1 C 0.02 R 0.01 F 0.01 C Shift Assignments>> C :: 174.2900 CA :: 45.2690 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.8770 HA2 :: 3.7590 HA3 :: 4.3100 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 114.6880 Ave N Shift Values>> N :: 109.67(3.87) 1.E71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 E 0.36 M 0.16 I 0.01 K 0.01 C Shift Assignments>> C :: 176.0600 CA :: 55.1770 CB :: 31.0550 CG :: 37.1770 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 :: 7.9810 HA :: 4.5610 HB2 :: 2.0260 HB3 :: 2.0560 HG2 :: 2.1480 HG3 :: 2.1770 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 :: 121.1940 Ave N Shift Values>> N :: 120.67(3.48) 1.D72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.38 D 0.32 L 0.11 F 0.07 C 0.07 HN Overlap>> 1.E69 1.E69 C Shift Assignments>> C :: 174.4830 CA :: 53.0770 CB :: 39.9520 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 :: 8.6210 HA :: 4.8420 HB2 :: 2.4620 HB3 :: 2.6550 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 :: 123.9600 Ave N Shift Values>> N :: 120.65(3.86) 1.P73 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 :: 177.1400 CA :: 63.3360 CB :: 32.6490 CG :: 28.1210 CD :: 50.7590 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 :: 4.7480 HB2 :: 1.9700 HB3 :: 2.2790 HG2 :: 1.9680 HG3 :: 2.1250 HD2 :: 3.6830 HD3 :: 3.9150 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.T74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.88 C 0.11 C Shift Assignments>> C :: 173.0060 CA :: 61.5010 CB :: 71.1740 CG2 :: 20.5750 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 :: 8.7600 HA :: 4.6660 HB :: 4.0150 HG21 :: 1.1340 HG22 :: 1.1340 HG23 :: 1.1340 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 :: 119.2180 Ave N Shift Values>> N :: 115.42(4.75) 1.S75 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.97 T 0.02 C Shift Assignments>> C :: 173.0870 CA :: 56.6380 CB :: 65.8190 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.3740 HA :: 5.1900 HB2 :: 2.8490(S) HB3 :: 3.0680 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 117.1770 Ave N Shift Values>> N :: 116.28(3.52) 1.L76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.51 L 0.3 C 0.14 A 0.02 R 0.01 C Shift Assignments>> C :: 174.8970 CA :: 53.6020 CB :: 45.1830 CG :: 27.1150 CD1 :: 26.1090 CD2 :: 23.5940 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 :: 8.7770 HA :: 4.6210 HB2 :: 1.4210 HB3 :: 0.9810 HG :: 1.5140 HD11 :: 0.7450 HD12 :: 0.7450 HD13 :: 0.7450 HD21 :: 0.8230 HD22 :: 0.8230 HD23 :: 0.8230 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 :: 123.8360 Ave N Shift Values>> N :: 121.86(3.9) 1.V77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.57 C 0.42 C Shift Assignments>> C :: 174.2200 CA :: 60.8620 CB :: 33.2800 CG1 :: 21.5820 CG2 :: 21.0780 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 :: 8.1400 HA :: 4.7580 HB :: 1.6320 HG11 :: 0.3580 HG12 :: 0.3580 HG13 :: 0.3580 HG21 :: 0.6040 HG22 :: 0.6040 HG23 :: 0.6040 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 :: 122.6700 Ave N Shift Values>> N :: 121.14(4.54) 1.F78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.75 C 0.23 HN Overlap>> 1.K28 1.K28 C Shift Assignments>> C :: 174.6750 CA :: 56.3190 CB :: 41.2700 CD1 :: 131.3930 CE1 :: 131.1520 CZ :: 128.1980 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 :: 8.7830 HA :: 5.1510 HB2 :: 2.6470 HB3 :: 2.4520 HD1 :: 6.6850 HE1 :: 6.3230 HZ :: 6.3870 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 :: 125.6560 Ave N Shift Values>> N :: 120.45(4.18) 1.H79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 H 0.27 W 0.13 C Shift Assignments>> C :: 175.7160 CA :: 56.3650 CB :: 33.9390 CD2 :: 117.8720 CE1 :: 138.9650 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 :: 9.5320 HA :: 4.9460 HB3 :: 3.0330 HD2 :: 6.8460 HE1 :: 7.5640 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 :: 123.1410 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.F80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.7 C 0.29 C Shift Assignments>> C :: 175.6560 CA :: 56.8210 CB :: 40.5290 CD1 :: 132.8220 CE1 :: 130.9450 CZ :: 128.3950 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 :: 9.4960 HA :: 4.8560 HB2 :: 2.5540 HB3 :: 3.1440 HD1 :: 7.4080 HE1 :: 7.0430 HZ :: 6.8450 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 :: 119.5710 Ave N Shift Values>> N :: 120.45(4.18) 1.T81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.89 C 0.1 HN Overlap>> 1.N95 1.N95 C Shift Assignments>> C :: 174.5430 CA :: 64.7200 CB :: 69.3200 CG2 :: 23.0910 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 :: 8.1880 HA :: 3.9740 HB :: 4.0600 HG21 :: 1.3730 HG22 :: 1.3730 HG23 :: 1.3730 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 :: 120.1650 Ave N Shift Values>> N :: 115.42(4.75) 1.G82 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 :: 174.6240 CA :: 45.5430 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.5350 HA2 :: 3.8600 HA3 :: 4.3660 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 116.3780 Ave N Shift Values>> N :: 109.67(3.87) 1.T83 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 :: 172.4190 CA :: 59.6520 CB :: 69.1970 CG2 :: 21.0780 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 :: 8.1330 HA :: 4.9850 HB :: 4.3470 HG21 :: 1.1270 HG22 :: 1.1270 HG23 :: 1.1270 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 :: 113.4680 Ave N Shift Values>> N :: 115.42(4.75) 1.P84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.78 C 0.21 C Shift Assignments>> C :: 177.1390 CA :: 63.8390 CB :: 32.1460 CG :: 28.1210 CD :: 50.2560 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 :: 4.4540 HB2 :: 1.8190 HB3 :: 2.3050 HG2 :: 1.9680 HG3 :: 2.1270 HD2 :: 3.6780 HD3 :: 3.9180 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.N85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.46 C 0.19 E 0.1 F 0.07 M 0.06 D 0.05 L 0.01 C Shift Assignments>> C :: 175.2710 CA :: 53.9220 CB :: 37.3570 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 9.1080 HA :: 4.5120 HB3 :: 2.9030 HD21 :: 7.6180 HD22 :: 6.9140 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 119.1500 ND2 :: 115.0400 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.22 L 0.22 C 0.2 T 0.17 A 0.09 M 0.05 I 0.01 C Shift Assignments>> C :: 179.0040 CA :: 57.0950 CB :: 21.0460 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.3160 HA :: 3.9140 HB1 :: 1.5300 HB2 :: 1.5300 HB3 :: 1.5300 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.9060 Ave N Shift Values>> N :: 123.23(3.54) 1.R87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 R 0.21 G 0.12 K 0.1 L 0.02 C Shift Assignments>> C :: 177.5170 CA :: 58.5110 CB :: 29.8610 CG :: 25.1030 CD :: 43.7170 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 :: 8.5950 HA :: 3.8510 HB3 :: 1.8330 HG2 :: 1.5440 HG3 :: 1.8200 HD2 :: 3.1590 HD3 :: 3.2930 HE :: 7.0800 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 117.9020 NE :: 85.8200 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.E88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.4 C 0.37 E 0.19 K 0.02 C Shift Assignments>> C :: 180.2680 CA :: 60.2460 CB :: 28.8310 CG :: 37.1770 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 :: 8.8100 HA :: 4.0800 HB2 :: 1.8930 HB3 :: 1.9890 HG2 :: 2.2210 HG3 :: 2.3600 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 :: 121.7820 Ave N Shift Values>> N :: 120.67(3.48) 1.N89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 N 0.2 F 0.17 E 0.17 M 0.05 D 0.05 I 0.04 L 0.02 K 0.01 C Shift Assignments>> C :: 176.4350 CA :: 55.7710 CB :: 37.6040 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.8760 HA :: 4.5820 HB2 :: 2.9430 HB3 :: 2.3940 HD21 :: 8.0200 HD22 :: 7.1360 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 120.2260 ND2 :: 116.0180 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.C90 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.41 P 0.31 C 0.16 R 0.03 W 0.03 C Shift Assignments>> C :: 177.8100 CA :: 62.0040 CB :: 26.7720 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.2440 HA :: 2.7430(S) HB2 :: 1.6000 HB3 :: 2.4800 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 :: 123.1400 Ave N Shift Values>> N :: 120.17(4.64) 1.D91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.41 C 0.21 I 0.14 D 0.09 L 0.08 N 0.02 HN Overlap>> 1.E69 1.E69 C Shift Assignments>> CA :: 57.8440 CB :: 39.5820 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 :: 8.6050 HA :: 4.3260 HB2 :: 2.5350 HB3 :: 2.6550 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 :: 124.0740 Ave N Shift Values>> N :: 120.65(3.86) 1.M92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 M 0.4 C Shift Assignments>> C :: 178.6190 CA :: 59.2870 CB :: 31.8380 CG :: 31.6430 CE :: 16.5510 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 :: 8.0720 HA :: 4.2430 HB2 :: 2.1900 HB3 :: 2.3290 HG3 :: 2.7250 HE1 :: 2.0580 HE2 :: 2.0580 HE3 :: 2.0580 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 :: 122.9200 Ave N Shift Values>> N :: 120.09(3.57) 1.I93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.77 I 0.22 C Shift Assignments>> C :: 177.4660 CA :: 62.0490 CB :: 35.3390 CG1 :: 27.6180 CG2 :: 17.0540 CD1 :: 9.5080 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 :: 8.3670 HA :: 3.6550 HB :: 2.0770 HG12 :: 1.2810 HG13 :: 1.7050 HG21 :: 0.7580 HG22 :: 0.7580 HG23 :: 0.7580 HD11 :: 0.5690 HD12 :: 0.5690 HD13 :: 0.5690 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 121.3550 Ave N Shift Values>> N :: 121.46(4.28) 1.T94 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.99 C Shift Assignments>> C :: 175.7670 CA :: 68.4190 CB :: 79.1450(S) CG2 :: 21.0780 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 :: 8.6810 HA :: 3.5880 HB :: 4.2260 HG21 :: 1.0700 HG22 :: 1.0700 HG23 :: 1.0700 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 :: 118.1610 Ave N Shift Values>> N :: 115.42(4.75) 1.N95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.3 C 0.25 N 0.11 D 0.09 I 0.08 E 0.06 L 0.05 M 0.02 HN Overlap>> 1.T81 1.T81 C Shift Assignments>> C :: 177.8510 CA :: 56.6610 CB :: 38.4690 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 :: 8.2320 HA :: 4.3820 HB2 :: 2.7490 HB3 :: 2.8310 HD21 :: 7.5650 HD22 :: 6.8980 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 120.1080 ND2 :: 115.1270 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 E 0.31 K 0.13 Q 0.1 I 0.1 M 0.01 C Shift Assignments>> C :: 179.5400 CA :: 58.5790 CB :: 28.9140 CG :: 35.6680 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 :: 8.2940 HA :: 4.2400 HB3 :: 1.9370 HG2 :: 2.2300 HG3 :: 2.4250 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 :: 119.8540 Ave N Shift Values>> N :: 120.67(3.48) 1.L97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.47 C 0.42 R 0.08 C Shift Assignments>> C :: 178.0020 CA :: 57.7570 CB :: 41.8880 CG :: 27.1150 CD1 :: 24.0970 CD2 :: 26.1090 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 :: 9.0010 HA :: 4.0170 HB2 :: 1.6100 HB3 :: 1.7420 HG :: 1.6570 HD11 :: 0.8910 HD12 :: 0.8910 HD13 :: 0.8910 HD21 :: 0.8490 HD22 :: 0.8490 HD23 :: 0.8490 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 :: 123.5170 Ave N Shift Values>> N :: 121.86(3.9) 1.R98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 R 0.24 G 0.17 K 0.02 C Shift Assignments>> C :: 179.6100 CA :: 60.5420 CB :: 29.5730 CG :: 28.6250 CD :: 43.7170 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 :: 8.5270 HA :: 3.8810 HB2 :: 1.7900 HB3 :: 1.8970 HG3 :: 1.5530 HD3 :: 3.1430 HE :: 7.1800 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 119.4320 NE :: 85.3490 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.N99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 N 0.2 F 0.19 E 0.14 D 0.06 M 0.04 I 0.04 L 0.02 C Shift Assignments>> C :: 177.0310 CA :: 55.8620 CB :: 37.8100 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.9780 HA :: 4.4380 HB2 :: 2.8060 HB3 :: 2.6650 HD21 :: 7.4750 HD22 :: 6.6860 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 :: 118.8200 ND2 :: 112.9520 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.7 A 0.23 I 0.03 C 0.01 C Shift Assignments>> C :: 180.4200 CA :: 55.1770 CB :: 16.9270 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.2260 HA :: 3.8070 HB1 :: 0.5780 HB2 :: 0.5780 HB3 :: 0.5780 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.5840 Ave N Shift Values>> N :: 123.23(3.54) 1.I101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.86 C 0.13 C Shift Assignments>> C :: 178.1240 CA :: 65.3140 CB :: 38.7580 CG1 :: 28.6250 CG2 :: 17.0540 CD1 :: 15.5450 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 :: 8.1750 HA :: 3.6170 HB :: 1.7790 HG12 :: 1.1290 HG13 :: 1.6060 HG21 :: 0.8810 HG22 :: 0.8810 HG23 :: 0.8810 HD11 :: 0.7610 HD12 :: 0.7610 HD13 :: 0.7610 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 119.2000 Ave N Shift Values>> N :: 121.46(4.28) 1.Q102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 Q 0.24 K 0.23 R 0.09 E 0.03 I 0.02 M 0.01 C Shift Assignments>> C :: 178.1740 CA :: 58.8070 CB :: 28.0490 CG :: 33.6550 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 :: 7.8450 HA :: 4.0650 HB3 :: 2.1120 HG2 :: 2.3350 HG3 :: 2.3710 HE21 :: 7.6010 HE22 :: 6.7670 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.8870 NE2 :: 113.1530 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.R103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 R 0.4 G 0.11 K 0.02 C Shift Assignments>> C :: 178.9640 CA :: 58.9900 CB :: 30.3140 CG :: 27.6180 CD :: 43.7170 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 :: 8.2200 HA :: 4.1600 HB2 :: 1.7770 HB3 :: 1.8670 HG2 :: 1.5440 HG3 :: 1.7510 HD2 :: 3.0990 HD3 :: 3.1840 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 119.6640 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.Q104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 Q 0.26 K 0.23 R 0.11 E 0.03 M 0.01 I 0.01 HN Overlap>> 1.K34 1.K34 C Shift Assignments>> C :: 178.0430 CA :: 58.0770 CB :: 27.9660 CG :: 33.6550 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 :: 7.8760 HA :: 4.2410 HB2 :: 2.2180 HB3 :: 2.3400 HG2 :: 2.4480 HG3 :: 2.5180 HE21 :: 7.5600 HE22 :: 6.9180 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.4070 NE2 :: 113.5290 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.R105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.43 C 0.42 K 0.09 G 0.04 C Shift Assignments>> C :: 178.1740 CA :: 58.0310 CB :: 30.6020 CG :: 27.6180 CD :: 43.2140 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 :: 8.1520 HA :: 4.2470 HB3 :: 1.8960 HG2 :: 1.7020 HG3 :: 1.7760 HD2 :: 3.1150 HD3 :: 3.1800 HE :: 7.2640 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 :: 120.6270 NE :: 86.3690 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.E106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.41 C 0.38 I 0.07 K 0.05 M 0.04 Q 0.02 C Shift Assignments>> C :: 177.9310 CA :: 57.6890 CB :: 29.9430 CG :: 36.6740 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 :: 8.2290 HA :: 4.2850 HB3 :: 2.0370 HG2 :: 2.2670 HG3 :: 2.3810 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 :: 120.4800 Ave N Shift Values>> N :: 120.67(3.48) 1.G107 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 :: 174.7350 CA :: 45.7710 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.1090 HA3 :: 4.1040 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.3340 Ave N Shift Values>> N :: 109.67(3.87) 1.S108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.7760 CA :: 58.6700 CB :: 63.9240 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.1510 HA :: 4.5540 HB2 :: 3.8650 HB3 :: 3.9010 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 :: 116.5460 Ave N Shift Values>> N :: 116.28(3.52) 1.Q109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.31 K 0.28 C 0.23 M 0.07 E 0.05 R 0.03 C Shift Assignments>> C :: 176.0000 CA :: 55.8850 CB :: 29.4080 CG :: 33.6550 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 :: 8.3900 HA :: 4.4860 HB2 :: 1.9830 HB3 :: 2.1460 HG3 :: 2.3720 HE21 :: 7.4970 HE22 :: 6.8210 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 :: 122.9970 NE2 :: 113.7620 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.S110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.5720 CA :: 58.5110 CB :: 63.8830 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.3710 HA :: 4.5270 HB3 :: 3.8310 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 :: 118.7780 Ave N Shift Values>> N :: 116.28(3.52) 1.K111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 R 0.44 G 0.1 C Shift Assignments>> C :: 181.3600 CA :: 57.7800 CB :: 33.7330 CG :: 27.6180 CD :: 30.6370 CE :: 43.7170 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 :: 8.0600 HA :: 4.2470 HB2 :: 1.6740 HB3 :: 1.7960 HG2 :: 1.7010 HG3 :: 1.7700 HD3 :: 1.8960 HE2 :: 3.1030 HE3 :: 3.1860 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 129.6600 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) ########################################################################### Overall Results: #Consistent: 103 #Clerical: 0 #Suspicious: 7 #Anomalous: 0 #Mistyped: 1 #Indeterminable: 0 Typing Results: #Consistent: 107 #Suspicious: 0 #Mistyped: 1 #Indeterminable: 3 Shift Relative Order (SRO) Results: #Consistent: 111 #Suspicious: 0 C Shift Results: #Consistent: 468 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent: 728 #Duplicate: 0 #Unknown: 0 #Suspicious: 6 #Anomalous: 0 N Shift Results: #Consistent: 118 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 0 Error Summary: 1.E9 HA = 5.6370(S), Expected = 4.25, Std = 0.4100, ChiSquare = 7.1718e-04 1.F14 HB2 = 1.3990(S), Expected = 3.00, Std = 0.3700, ChiSquare = 1.5114e-05 1.F14 HB3 = 0.6200(S), Expected = 2.93, Std = 0.4000, ChiSquare = 7.6953e-09 1.K16 N = 107.9350(S), Expected = 121.05, Std = 3.7700, ChiSquare = 5.0370e-04 1.L21 N = 135.5010(S), Expected = 121.86, Std = 3.9000, ChiSquare = 4.6930e-04 1.R62 HG2 = 0.6730(S), Expected = 1.57, Std = 0.2700, ChiSquare = 8.9304e-04 1.S75 HB2 = 2.8490(S), Expected = 3.88, Std = 0.2500, ChiSquare = 3.7235e-05 1.C90 HA = 2.7430(S), Expected = 4.66, Std = 0.5500, ChiSquare = 4.9130e-04 1.T94 Typing: Mistyped 1.T94 CB = 79.1450(S), Expected = 69.73, Std = 1.6300, ChiSquare = 7.6464e-09