Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.N1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.43 D 0.18 C 0.1 Y 0.1 F 0.09 L 0.05 C Shift Assignments>> C :: 174.7770 CA :: 53.8470 CB :: 38.8100 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>> HA :: 4.8450 HB2 :: 2.9290 HB3 :: 2.9290 HD21 :: 7.7300 HD22 :: 7.0620 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>> ND2 :: 113.6400 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.D2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.27 L 0.22 K 0.13 F 0.11 Y 0.08 N 0.07 C 0.06 R 0.01 C Shift Assignments>> C :: 177.2410 CA :: 54.9460 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 :: 8.4910 HA :: 4.6640 HB2 :: 2.8700 HB3 :: 2.7440 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 :: 121.1300 Ave N Shift Values>> N :: 120.65(3.86) 1.E3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.33 K 0.11 I 0.09 Q 0.07 M 0.02 C Shift Assignments>> C :: 176.9870 CA :: 58.1000 CB :: 29.3000 CG :: 36.0750 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 :: 8.9650 HA :: 4.2980 HB2 :: 2.2000 HB3 :: 2.1500 HG2 :: 2.3950 HG3 :: 2.3950 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 :: 123.5410 Ave N Shift Values>> N :: 120.67(3.48) 1.L4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 C 0.25 G 0.15 A 0.02 C Shift Assignments>> C :: 176.4977 CA :: 55.3010 CB :: 43.6730 CG :: 25.7000 CD1 :: 23.3030 CD2 :: 23.3030 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 :: 8.4300 HA :: 4.3100 HB2 :: 1.6730 HB3 :: 1.8960 HG :: 0.9560 HD11 :: 0.8750 HD12 :: 0.8750 HD13 :: 0.8750 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 :: 118.9410 Ave N Shift Values>> N :: 121.86(3.9) 1.L5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 C 0.37 R 0.03 C Shift Assignments>> C :: 178.4069 CA :: 57.3700 CB :: 41.8070 CG :: 26.7800 CD1 :: 25.4500 CD2 :: 23.7690 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 :: 7.2300 HA :: 3.7440 HB2 :: 1.5930 HB3 :: 1.8980 HG :: 1.8980 HD11 :: 1.1090 HD12 :: 1.1090 HD13 :: 1.1090 HD21 :: 0.9550 HD22 :: 0.9550 HD23 :: 0.9550 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 116.6040 Ave N Shift Values>> N :: 121.86(3.9) 1.G6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.05 C 0.04 C Shift Assignments>> C :: 174.1370 CA :: 46.5310 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.0350 HA2 :: 3.8000 HA3 :: 4.4300 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.8340 Ave N Shift Values>> N :: 109.67(3.87) 1.K7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.34 C 0.33 R 0.3 G 0.01 HN Overlap>> 1.S13 1.W94 1.S13 1.W94 C Shift Assignments>> C :: 175.9570 CA :: 55.6800 CB :: 31.7890 CG :: 25.9000 CE :: 42.4400 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 :: 8.2210 HA :: 4.6900 HB2 :: 2.1200 HB3 :: 2.1200 HG2 :: 1.4170 HG3 :: 1.5500 HE2 :: 3.1400 HE3 :: 3.1400 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 :: 119.3190 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.63 C 0.36 HN Overlap>> 1.Q79 1.R17 1.Q79 1.R17 1.E111 1.E111 C Shift Assignments>> C :: 175.8920 CA :: 62.4490 CB :: 31.8400 CG1 :: 21.9230 CG2 :: 23.0390 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 :: 8.4760 HA :: 5.1830 HB :: 2.2950 HG11 :: 1.0670 HG12 :: 1.0670 HG13 :: 1.0670 HG21 :: 1.4400 HG22 :: 1.4400 HG23 :: 1.4400 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 :: 121.3110 Ave N Shift Values>> N :: 121.14(4.54) 1.V9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.96 A 0.01 V 0.01 C Shift Assignments>> C :: 174.2570 CA :: 58.6750 CB :: 35.7960 CG1 :: 17.7010 CG2 :: 21.4900 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 :: 9.3560 HA :: 5.0520 HB :: 2.2730 HG11 :: 0.7330 HG12 :: 0.7330 HG13 :: 0.7330 HG21 :: 0.8890 HG22 :: 0.8890 HG23 :: 0.8890 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 :: 119.7430 Ave N Shift Values>> N :: 121.14(4.54) 1.S10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.2790 CA :: 56.4500 CB :: 64.9000 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.7360 HA :: 4.9200 HB2 :: 3.1600 HB3 :: 3.2100 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 :: 114.6290 Ave N Shift Values>> N :: 116.28(3.52) 1.V11 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.6 C 0.39 C Shift Assignments>> C :: 175.9360 CA :: 61.5480 CB :: 32.0840 CG1 :: 22.0480 CG2 :: 22.0480 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 :: 8.8040 HA :: 4.4050 HB :: 0.8800(S) HG11 :: 0.6270 HG12 :: 0.6270 HG13 :: 0.6270 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 :: 125.7480 Ave N Shift Values>> N :: 121.14(4.54) 1.V12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.64 C 0.35 HN Overlap>> 1.A187 1.A187 C Shift Assignments>> C :: 175.6320 CA :: 61.9340 CB :: 32.4500 CG1 :: 20.9000 CG2 :: 21.3000 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 :: 8.2960 HA :: 4.1840 HB :: 1.8570 HG11 :: 0.8360 HG12 :: 0.8360 HG13 :: 0.8360 HG21 :: 0.9000 HG22 :: 0.9000 HG23 :: 0.9000 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 :: 124.9160 Ave N Shift Values>> N :: 121.14(4.54) 1.S13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.Q40 1.Q40 1.V157 1.K7 1.V157 1.K7 C Shift Assignments>> C :: 175.1720 CA :: 58.0600 CB :: 63.8000 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.1310 HA :: 4.4400 HB2 :: 4.0170 HB3 :: 4.1370 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 :: 119.3370 Ave N Shift Values>> N :: 116.28(3.52) 1.A14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.79 M 0.14 C 0.03 L 0.01 C Shift Assignments>> C :: 178.7060 CA :: 53.7600 CB :: 19.5390 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.6100 HA :: 4.3800 HB1 :: 1.6060 HB2 :: 1.6060 HB3 :: 1.6060 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.8160 Ave N Shift Values>> N :: 123.23(3.54) 1.T15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 C Shift Assignments>> C :: 174.8950 CA :: 62.6000 CB :: 69.6240 CG2 :: 22.0810 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 :: 8.0660 HA :: 4.4000 HB :: 4.3700 HG21 :: 1.2930 HG22 :: 1.2930 HG23 :: 1.2930 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 :: 108.6700 Ave N Shift Values>> N :: 115.42(4.75) 1.E16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.31 M 0.09 K 0.08 Q 0.08 I 0.02 HN Overlap>> 1.A81 1.A81 C Shift Assignments>> C :: 176.2840 CA :: 56.1470 CB :: 30.1000 CG :: 36.1000 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 :: 7.7810 HA :: 4.5700 HB2 :: 2.1100 HB3 :: 2.0300 HG2 :: 2.3750 HG3 :: 2.3150 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 :: 122.4280 Ave N Shift Values>> N :: 120.67(3.48) 1.R17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.4 K 0.09 G 0.03 L 0.02 HN Overlap>> 1.V8 1.V8 C Shift Assignments>> C :: 176.7420 CA :: 57.7590 CB :: 29.5340 CG :: 27.1000 CD :: 42.9150 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 :: 8.4650 HA :: 4.1300 HB2 :: 1.9800 HB3 :: 1.8300 HG2 :: 1.7000 HG3 :: 1.7000 HD2 :: 3.3100 HD3 :: 3.2430 HE :: 7.2741 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 :: 121.3620 NE :: 84.3366 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.T18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.91 C 0.08 C Shift Assignments>> C :: 174.6330 CA :: 62.5070 CB :: 69.4860 CG2 :: 21.9430 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 :: 7.8540 HA :: 4.4510 HB :: 4.5000 HG21 :: 1.3330 HG22 :: 1.3330 HG23 :: 1.3330 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 :: 109.0600 Ave N Shift Values>> N :: 115.42(4.75) 1.E19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.39 C 0.35 M 0.18 Q 0.03 K 0.02 I 0.01 C Shift Assignments>> C :: 175.2000 CA :: 56.0230 CB :: 31.0400 CG :: 36.4000 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 :: 8.2070 HA :: 4.6880 HB2 :: 2.2480 HB3 :: 2.1260 HG2 :: 2.3660 HG3 :: 2.3030 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 :: 122.8370 Ave N Shift Values>> N :: 120.67(3.48) 1.W20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.68 W 0.31 HN Overlap>> 1.L179 1.L179 C Shift Assignments>> C :: 175.2010 CA :: 55.2300 CB :: 31.7840 CD1 :: 128.3110 CE3 :: 119.7730 CZ2 :: 114.8170 CZ3 :: 118.1550 CH2 :: 123.6420 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 :: 8.0900 HA :: 5.5780 HB2 :: 3.1780 HB3 :: 3.1350 HD1 :: 7.2830 HE1 :: 10.3500 HE3 :: 7.1300 HZ2 :: 7.5720 HZ3 :: 6.7250 HH2 :: 7.0260 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 :: 120.0460 NE1 :: 130.7230 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.Y21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.59 C 0.4 C Shift Assignments>> C :: 172.5337 CA :: 54.3560 CB :: 39.8610 CD1 :: 134.4000 CE1 :: 117.3460 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 :: 8.7800 HA :: 5.3040 HB2 :: 3.0900 HB3 :: 3.0900 HD1 :: 7.1590 HE1 :: 6.5000 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 116.7570 Ave N Shift Values>> N :: 120.52(4.2) 1.P22 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> C 0.51 P 0.48 C Shift Assignments>> C :: 176.5650 CA :: 61.1230 CB :: 31.4250 CG :: 27.6120 CD :: 50.5040 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 :: 5.9240(S) HB2 :: 1.9080 HB3 :: 2.1000 HG2 :: 1.8710 HG3 :: 2.3090 HD2 :: 4.0900 HD3 :: 3.9000 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.A23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.46 C 0.17 P 0.16 K 0.13 R 0.02 A 0.02 C Shift Assignments>> C :: 173.5260 CA :: 51.2860 CB :: 24.6660 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.6720 HA :: 5.5100 HB1 :: 1.4750 HB2 :: 1.4750 HB3 :: 1.4750 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.2400 Ave N Shift Values>> N :: 123.23(3.54) 1.L24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 G 0.34 L 0.12 A 0.03 C Shift Assignments>> C :: 176.0040 CA :: 53.2070 CB :: 47.3000 CG :: 27.2000 CD1 :: 27.2000 CD2 :: 24.3000 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 :: 8.7950 HA :: 5.4600 HB2 :: 1.5250 HB3 :: 2.0090 HG :: 0.9400 HD11 :: 0.9400 HD12 :: 0.9400 HD13 :: 0.9400 HD21 :: 1.1450 HD22 :: 1.1450 HD23 :: 1.1450 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 :: 123.1250 Ave N Shift Values>> N :: 121.86(3.9) 1.V25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.71 C 0.28 C Shift Assignments>> C :: 176.5700 CA :: 63.9340 CB :: 30.7270 CG1 :: 22.7680 CG2 :: 22.4000 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 :: 8.7070 HA :: 4.6300 HB :: 2.7000 HG11 :: 1.0900 HG12 :: 1.0900 HG13 :: 1.0900 HG21 :: 1.1100 HG22 :: 1.1100 HG23 :: 1.1100 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 :: 127.8650 Ave N Shift Values>> N :: 121.14(4.54) 1.I26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.64 I 0.33 A 0.01 C Shift Assignments>> C :: 174.4867 CA :: 59.1750 CB :: 41.8000 CG1 :: 26.0000 CG2 :: 19.3360 CD1 :: 14.2280 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 :: 8.7000 HA :: 4.9200 HB :: 2.2800 HG12 :: 1.4200 HG13 :: 1.4900 HG21 :: 1.0450 HG22 :: 1.0450 HG23 :: 1.0450 HD11 :: 1.0300 HD12 :: 1.0300 HD13 :: 1.0300 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 :: 121.4030 Ave N Shift Values>> N :: 121.46(4.28) 1.S27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.9361 CA :: 55.9360 CB :: 64.4520 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.9690 HA :: 5.4700 HB2 :: 3.8200 HB3 :: 4.1250 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 111.6100 Ave N Shift Values>> N :: 116.28(3.52) 1.P28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.62 C 0.37 C Shift Assignments>> C :: 177.3830 CA :: 65.1000 CB :: 32.4490 CG :: 28.3000 CD :: 51.9000 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 :: 4.5100 HB2 :: 2.1800 HB3 :: 2.5610 HG2 :: 2.1500 HG3 :: 2.3700 HD2 :: 4.0650 HD3 :: 4.0650 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.S29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.0220 CA :: 59.6000 CB :: 63.0100 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.8740 HA :: 4.4930 HB2 :: 4.0900 HB3 :: 4.0900 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 :: 110.3540 Ave N Shift Values>> N :: 116.28(3.52) 1.C30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.16 W 0.16 E 0.13 K 0.12 Q 0.1 H 0.09 R 0.09 I 0.08 M 0.02 V 0.01 C Shift Assignments>> C :: 173.2750 CA :: 59.0550 CB :: 29.3100 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.9020 HA :: 4.7700 HB2 :: 2.7710 HB3 :: 3.5400 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 :: 116.5470 Ave N Shift Values>> N :: 120.17(4.64) 1.N31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 N 0.32 L 0.12 F 0.07 C 0.06 Y 0.06 K 0.01 C Shift Assignments>> C :: 173.1490 CA :: 53.1110 CB :: 40.1800 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 :: 7.6240 HA :: 4.6080 HB2 :: 2.0900 HB3 :: 2.7620 HD21 :: 7.2442 HD22 :: 7.2442 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 :: 120.0790 ND2 :: 108.0500 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.D32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.23 L 0.23 K 0.17 F 0.12 Y 0.09 C 0.05 N 0.04 R 0.03 C Shift Assignments>> C :: 176.3872 CA :: 55.3910 CB :: 41.4210 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 :: 8.7900 HA :: 4.7210 HB2 :: 2.6630 HB3 :: 2.8540 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 :: 122.5600 Ave N Shift Values>> N :: 120.65(3.86) 1.D33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.26 K 0.2 D 0.16 R 0.13 F 0.09 Y 0.06 C 0.05 N 0.01 HN Overlap>> 1.E205 1.E205 C Shift Assignments>> C :: 175.8470 CA :: 55.6180 CB :: 42.2350 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 :: 8.1300 HA :: 4.7450 HB2 :: 2.8300 HB3 :: 2.7300 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 118.7280 Ave N Shift Values>> N :: 120.65(3.86) 1.I34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.62 C 0.37 HN Overlap>> 1.I101 1.I101 C Shift Assignments>> C :: 175.1640 CA :: 60.4020 CB :: 40.1500 CG1 :: 27.5080 CG2 :: 17.7400 CD1 :: 14.1000 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.3500 HA :: 4.3200 HB :: 1.6180 HG12 :: 1.0760 HG13 :: 1.4830 HG21 :: 0.8310 HG22 :: 0.8310 HG23 :: 0.8310 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 :: 119.3000 Ave N Shift Values>> N :: 121.46(4.28) 1.T35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 HN Overlap>> 1.D97 1.D97 C Shift Assignments>> C :: 173.7790 CA :: 62.7980 CB :: 69.5100 CG2 :: 21.7270 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 :: 8.5500 HA :: 4.3680 HB :: 4.1100 HG21 :: 1.2380 HG22 :: 1.2380 HG23 :: 1.2380 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 :: 122.8190 Ave N Shift Values>> N :: 115.42(4.75) 1.V36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.64 C 0.35 C Shift Assignments>> C :: 176.2500 CA :: 61.9180 CB :: 32.8310 CG1 :: 21.7860 CG2 :: 22.0300 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 :: 8.8150 HA :: 4.2230 HB :: 2.1200 HG11 :: 0.9550 HG12 :: 0.9550 HG13 :: 0.9550 HG21 :: 1.0100 HG22 :: 1.0100 HG23 :: 1.0100 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 :: 129.2050 Ave N Shift Values>> N :: 121.14(4.54) 1.K37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.42 C 0.34 R 0.22 G 0.01 C Shift Assignments>> C :: 177.3570 CA :: 55.9840 CB :: 33.4670 CG :: 25.6610 CD :: 29.0670 CE :: 42.3670 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.7380 HA :: 4.5000 HB2 :: 1.7190 HB3 :: 2.1500 HG2 :: 1.5100 HG3 :: 1.5800 HD2 :: 1.7730 HD3 :: 1.7730 HE2 :: 3.0920 HE3 :: 3.0920 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 127.2000 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>> C 0.45 K 0.39 R 0.13 G 0.02 HN Overlap>> 1.S99 1.S99 C Shift Assignments>> C :: 176.8960 CA :: 59.0990 CB :: 32.2820 CG :: 24.7640 CD :: 29.3000 CE :: 42.6850 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 :: 8.5150 HA :: 4.2430 HB2 :: 2.0210 HB3 :: 1.9680 HG2 :: 1.6310 HG3 :: 1.6310 HD2 :: 1.8280 HD3 :: 1.8280 HE2 :: 3.1310 HE3 :: 3.1310 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.7090 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.34 D 0.29 L 0.11 F 0.08 Y 0.07 C 0.07 C Shift Assignments>> C :: 175.4160 CA :: 53.5400 CB :: 39.8300 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.4350 HA :: 4.8000 HB2 :: 2.7850 HB3 :: 3.0800 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 116.0350 Ave N Shift Values>> N :: 120.65(3.86) 1.Q40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.29 K 0.2 C 0.2 H 0.09 R 0.09 W 0.05 E 0.02 Q 0.02 HN Overlap>> 1.S13 1.V157 1.S13 1.V157 C Shift Assignments>> C :: 174.8090 CA :: 54.7250 CB :: 33.2570 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 :: 8.0690 HA :: 5.2970 HB2 :: 2.4140 HB3 :: 2.0540 HE21 :: 7.4685 HE22 :: 6.7839 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 :: 119.3200 NE2 :: 112.1363 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.C41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.15 R 0.13 M 0.13 K 0.13 H 0.12 W 0.11 E 0.1 Q 0.06 V 0.02 C Shift Assignments>> C :: 171.7030 CA :: 57.4130 CB :: 31.6510 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.2400 HA :: 4.6900 HB2 :: 2.5180 HB3 :: 3.1210 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 :: 116.3690 Ave N Shift Values>> N :: 120.17(4.64) 1.L42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 C 0.24 G 0.18 R 0.02 A 0.01 C Shift Assignments>> C :: 174.9780 CA :: 53.9830 CB :: 43.7900 CG :: 28.1640 CD1 :: 24.0900 CD2 :: 24.0900 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 :: 9.6780 HA :: 5.1900 HB2 :: 1.2800 HB3 :: 2.0680 HG :: 0.8560 HD11 :: 0.9630 HD12 :: 0.9630 HD13 :: 0.9630 HD21 :: 0.9630 HD22 :: 0.9630 HD23 :: 0.9630 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 :: 125.1240 Ave N Shift Values>> N :: 121.86(3.9) 1.V43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.78 A 0.1 V 0.1 C Shift Assignments>> C :: 174.8730 CA :: 57.1930 CB :: 35.1280 CG1 :: 19.4500 CG2 :: 20.9200 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 :: 9.1060 HA :: 5.9610 HB :: 2.0390 HG11 :: 0.9950 HG12 :: 0.9950 HG13 :: 0.9950 HG21 :: 0.8130 HG22 :: 0.8130 HG23 :: 0.8130 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 :: 116.5800 Ave N Shift Values>> N :: 121.14(4.54) 1.R44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.59 C 0.34 R 0.03 G 0.01 A 0.01 C Shift Assignments>> C :: 176.6870 CA :: 53.5000 CB :: 33.2610 CG :: 24.4990 CD :: 42.1290 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 :: 9.0610 HA :: 4.9400 HB2 :: 1.8760 HB3 :: 1.9150 HG2 :: 1.3760 HG3 :: 1.4800 HD2 :: 2.6200 HD3 :: 2.5400 HE :: 7.5800 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 :: 119.7720 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.S45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 178.4130 CA :: 58.2680 CB :: 64.5680 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.7830 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 :: 119.1340 Ave N Shift Values>> N :: 116.28(3.52) 1.F46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.4 Y 0.35 C 0.24 C Shift Assignments>> C :: 175.3340 CA :: 63.2430 CB :: 39.9830 CD1 :: 131.7950 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 :: 9.0160 HA :: 4.5310 HB2 :: 3.0030 HB3 :: 3.4300 HD1 :: 6.7600 HE1 :: 6.9650 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 :: 126.3070 Ave N Shift Values>> N :: 120.45(4.18) 1.I47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.75 C 0.24 C Shift Assignments>> C :: 177.0610 CA :: 62.8350 CB :: 37.3200 CG1 :: 28.0870 CG2 :: 17.1370 CD1 :: 11.9857 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 :: 8.7560 HA :: 4.1840 HB :: 1.8180 HG12 :: 1.3200 HG13 :: 1.6260 HG21 :: 0.9510 HG22 :: 0.9510 HG23 :: 0.9510 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 :: 117.9080 Ave N Shift Values>> N :: 121.46(4.28) 1.D48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.28 K 0.11 R 0.09 N 0.06 F 0.04 C 0.04 Y 0.03 G 0.01 C Shift Assignments>> C :: 176.3150 CA :: 53.0470 CB :: 42.2530 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 :: 7.3700 HA :: 4.9540 HB2 :: 3.2600 HB3 :: 2.4190 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 :: 115.2260 Ave N Shift Values>> N :: 120.65(3.86) 1.S49 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 :: 172.0775 CA :: 60.7900 CB :: 64.6560 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.3450 HA :: 4.3378 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 111.6000 Ave N Shift Values>> N :: 116.28(3.52) 1.K50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.5 C 0.48 HN Overlap>> 1.R88 1.R88 C Shift Assignments>> C :: 174.6530 CA :: 54.5700 CB :: 31.4020 CG :: 24.6330 CD :: 27.7440 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 :: 8.2850 HA :: 3.8530 HB2 :: 1.4580 HB3 :: 1.4580 HG2 :: 1.2851 HG3 :: 1.6322 HD2 :: 1.8235 HD3 :: 1.8235 HE2 :: 3.0209 HE3 :: 2.4753 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 :: 119.4260 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.45 Y 0.38 C 0.15 C Shift Assignments>> C :: 175.0850 CA :: 56.2330 CB :: 40.7960 CD1 :: 131.6130 CE1 :: 129.9360 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 :: 7.7700 HA :: 5.5050 HB2 :: 2.6690 HB3 :: 2.7100 HD1 :: 6.9630 HE1 :: 6.8430 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 :: 115.2040 Ave N Shift Values>> N :: 120.45(4.18) 1.Y52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.62 C 0.28 G 0.08 HN Overlap>> 1.S53 1.S53 C Shift Assignments>> C :: 174.2900 CA :: 57.4100 CB :: 42.9000 CD1 :: 133.6000 CE1 :: 118.4610 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 :: 8.8470 HA :: 4.8280 HB2 :: 2.5560 HB3 :: 3.0560 HD1 :: 7.0200 HE1 :: 6.9600 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 117.8100 Ave N Shift Values>> N :: 120.52(4.2) 1.S53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.Y52 1.Y52 C Shift Assignments>> C :: 174.5110 CA :: 56.2780 CB :: 63.9000 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.8320 HA :: 5.4730 HB2 :: 3.7200 HB3 :: 3.8800 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 :: 117.7790 Ave N Shift Values>> N :: 116.28(3.52) 1.I54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 I 0.28 A 0.09 C Shift Assignments>> C :: 175.5385 CA :: 57.3800 CB :: 40.8690 CG1 :: 26.9360 CG2 :: 18.6290 CD1 :: 11.3007 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 :: 9.1430 HA :: 4.6680 HB :: 1.9250 HG12 :: 1.3100 HG13 :: 1.5270 HG21 :: 1.1260 HG22 :: 1.1260 HG23 :: 1.1260 HD11 :: 0.8260 HD12 :: 0.8260 HD13 :: 0.8260 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 126.7490 Ave N Shift Values>> N :: 121.46(4.28) 1.A55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.79 M 0.18 C 0.01 C Shift Assignments>> C :: 178.4890 CA :: 52.9880 CB :: 18.6680 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.9660 HA :: 4.4990 HB1 :: 1.6320 HB2 :: 1.6320 HB3 :: 1.6320 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 127.7160 Ave N Shift Values>> N :: 123.23(3.54) 1.R56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 R 0.27 K 0.2 G 0.04 L 0.01 C Shift Assignments>> C :: 178.6320 CA :: 59.6370 CB :: 29.5300 CG :: 25.8270 CD :: 42.9820 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 :: 8.9880 HA :: 3.9400 HB2 :: 1.7030 HB3 :: 1.8900 HG2 :: 1.5100 HG3 :: 1.8900 HD2 :: 3.2432 HD3 :: 3.2432 HE :: 7.2100 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 124.4920 NE :: 84.5000 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.K57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 K 0.37 R 0.17 G 0.01 C Shift Assignments>> C :: 176.4170 CA :: 58.0020 CB :: 31.6080 CG :: 23.9500 CD :: 29.2370 CE :: 42.4720 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.2770 HA :: 4.3550 HB2 :: 1.9880 HB3 :: 1.8950 HG2 :: 1.4650 HG3 :: 1.4650 HE2 :: 3.0410 HE3 :: 3.1220 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 :: 114.9820 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.23 K 0.13 F 0.09 N 0.07 Y 0.06 C 0.05 R 0.02 HN Overlap>> 1.I83 1.I83 C Shift Assignments>> C :: 173.6210 CA :: 54.4800 CB :: 41.3720 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 :: 8.0150 HA :: 4.8600 HB2 :: 3.3170 HB3 :: 2.8500 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 :: 120.8760 Ave N Shift Values>> N :: 120.65(3.86) 1.I59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.61 C 0.38 C Shift Assignments>> C :: 175.6730 CA :: 60.1050 CB :: 39.7530 CG1 :: 27.5110 CG2 :: 18.0200 CD1 :: 14.1850 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 :: 7.3500 HA :: 4.9200 HB :: 1.9170 HG12 :: 1.0980 HG13 :: 1.6900 HG21 :: 0.8320 HG22 :: 0.8320 HG23 :: 0.8320 HD11 :: 0.7600 HD12 :: 0.7600 HD13 :: 0.7600 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 117.6890 Ave N Shift Values>> N :: 121.46(4.28) 1.K60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.5 C 0.39 R 0.08 G 0.01 C Shift Assignments>> C :: 175.6340 CA :: 54.3050 CB :: 35.5010 CG :: 24.5400 CD :: 29.0000 CE :: 42.2110 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 :: 8.7720 HA :: 4.7000 HB2 :: 1.5260 HB3 :: 1.6660 HG2 :: 1.3120 HG3 :: 1.3120 HD2 :: 1.5600 HD3 :: 1.5600 HE2 :: 2.8950 HE3 :: 2.8500 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 :: 125.2040 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.41 C 0.4 I 0.07 M 0.04 K 0.04 Q 0.01 C Shift Assignments>> C :: 175.9940 CA :: 57.3350 CB :: 30.0000 CG :: 37.0000 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 :: 8.8700 HA :: 4.5260 HB2 :: 1.9470 HB3 :: 2.1000 HG2 :: 2.2200 HG3 :: 2.3400 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 :: 124.3450 Ave N Shift Values>> N :: 120.67(3.48) 1.V62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.5 C 0.49 C Shift Assignments>> C :: 174.4580 CA :: 60.4600 CB :: 34.4000 CG1 :: 20.8000 CG2 :: 20.6730 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 :: 8.3750 HA :: 4.2640 HB :: 1.7620 HG11 :: 0.6900 HG12 :: 0.6900 HG13 :: 0.6900 HG21 :: 0.7540 HG22 :: 0.7540 HG23 :: 0.7540 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 :: 122.3060 Ave N Shift Values>> N :: 121.14(4.54) 1.D63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.5 D 0.23 C 0.07 L 0.06 F 0.05 Y 0.05 C Shift Assignments>> C :: 176.9503 CA :: 52.4940 CB :: 39.4000 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 :: 8.7480 HA :: 4.9400 HB2 :: 2.6000 HB3 :: 2.9720 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 126.9000 Ave N Shift Values>> N :: 120.65(3.86) 1.I64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.75 C 0.24 C Shift Assignments>> C :: 176.9970 CA :: 62.8260 CB :: 38.3070 CG1 :: 28.5000 CG2 :: 17.6220 CD1 :: 13.0000 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 :: 8.0450 HA :: 3.8650 HB :: 1.8900 HG12 :: 1.3430 HG13 :: 1.5690 HG21 :: 0.9200 HG22 :: 0.9200 HG23 :: 0.9200 HD11 :: 0.8340 HD12 :: 0.8340 HD13 :: 0.8340 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 123.3200 Ave N Shift Values>> N :: 121.46(4.28) 1.L65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.38 C Shift Assignments>> C :: 177.6260 CA :: 56.7830 CB :: 40.8510 CG :: 27.1180 CD1 :: 25.3050 CD2 :: 23.2080 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 :: 8.2970 HA :: 4.2420 HB2 :: 1.9030 HB3 :: 1.6330 HG :: 1.8300 HD11 :: 1.0280 HD12 :: 1.0280 HD13 :: 1.0280 HD21 :: 0.9740 HD22 :: 0.9740 HD23 :: 0.9740 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 :: 117.6470 Ave N Shift Values>> N :: 121.86(3.9) 1.N66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.44 D 0.27 L 0.08 C 0.06 F 0.06 Y 0.05 C Shift Assignments>> C :: 175.1380 CA :: 52.6000 CB :: 39.7210 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 :: 7.5550 HA :: 5.0300 HB2 :: 2.9680 HB3 :: 2.5380 HD21 :: 6.8750 HD22 :: 8.4760 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 114.7800 ND2 :: 116.0900 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.62 C 0.22 A 0.07 R 0.06 C Shift Assignments>> C :: 174.4199 CA :: 53.5550 CB :: 41.7960 CG :: 26.6328 CD1 :: 26.9000 CD2 :: 23.0700 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 :: 7.3170 HA :: 4.6320 HB2 :: 1.3780 HB3 :: 1.8760 HG :: 1.9849 HD11 :: 1.0500 HD12 :: 1.0500 HD13 :: 1.0500 HD21 :: 1.0050 HD22 :: 1.0050 HD23 :: 1.0050 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 :: 122.1950 Ave N Shift Values>> N :: 121.86(3.9) 1.P68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.69 C 0.3 C Shift Assignments>> C :: 178.0050 CA :: 62.7290 CB :: 32.3250 CG :: 27.9030 CD :: 50.6610 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 :: 4.6210 HB2 :: 2.5320 HB3 :: 2.1100 HG2 :: 2.1930 HG3 :: 2.1930 HD2 :: 4.0120 HD3 :: 3.6630 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.E69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.3 I 0.2 K 0.07 Q 0.03 M 0.01 C Shift Assignments>> C :: 178.7480 CA :: 59.9210 CB :: 29.3000 CG :: 36.1000 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 :: 9.0080 HA :: 4.0420 HB2 :: 2.2000 HB3 :: 2.1430 HG2 :: 2.4500 HG3 :: 2.4500 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 :: 124.2100 Ave N Shift Values>> N :: 120.67(3.48) 1.S70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.4160 CA :: 60.7720 CB :: 62.1790 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.5830 HA :: 4.2240 HB2 :: 4.0280 HB3 :: 4.0280 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 113.0940 Ave N Shift Values>> N :: 116.28(3.52) 1.E71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.34 Q 0.08 K 0.08 M 0.07 I 0.04 C Shift Assignments>> C :: 178.0470 CA :: 58.0000 CB :: 30.1000 CG :: 35.8700 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 :: 7.5200 HA :: 4.3650 HB2 :: 2.1960 HB3 :: 2.1200 HG2 :: 2.3000 HG3 :: 2.4200 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 :: 122.0190 Ave N Shift Values>> N :: 120.67(3.48) 1.L72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 C 0.38 R 0.08 G 0.01 C Shift Assignments>> C :: 178.2490 CA :: 57.7340 CB :: 42.3510 CG :: 27.0000 CD1 :: 24.0863 CD2 :: 25.5460 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 :: 7.7840 HA :: 4.0410 HB2 :: 1.4940 HB3 :: 1.9230 HG :: 1.7140 HD11 :: 0.9330 HD12 :: 0.9330 HD13 :: 0.9330 HD21 :: 0.9950 HD22 :: 0.9950 HD23 :: 0.9950 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.4930 Ave N Shift Values>> N :: 121.86(3.9) 1.S73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.6850 CA :: 60.3440 CB :: 63.8880 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.0100 HA :: 4.3650 HB2 :: 4.0650 HB3 :: 4.0210 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 :: 109.0150 Ave N Shift Values>> N :: 116.28(3.52) 1.T74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.91 C 0.08 C Shift Assignments>> C :: 174.5870 CA :: 62.5910 CB :: 70.4620 CG2 :: 21.8500 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 :: 7.4460 HA :: 4.5230 HB :: 4.4350 HG21 :: 1.3540 HG22 :: 1.3540 HG23 :: 1.3540 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 :: 109.8350 Ave N Shift Values>> N :: 115.42(4.75) 1.K75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.56 C 0.28 R 0.12 G 0.01 C Shift Assignments>> C :: 174.2515 CA :: 53.6060 CB :: 33.0400 CG :: 24.4590 CD :: 28.9330 CE :: 42.2890 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 :: 7.6000 HA :: 4.9450 HB2 :: 1.8900 HB3 :: 1.8900 HG2 :: 1.3750 HG3 :: 1.3750 HD2 :: 1.5390 HD3 :: 1.5390 HE2 :: 2.8620 HE3 :: 2.8620 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 123.1320 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.82 C 0.17 C Shift Assignments>> C :: 177.5900 CA :: 64.7060 CB :: 32.0670 CG :: 27.8000 CD :: 51.1410 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 :: 4.4210 HB2 :: 2.0100 HB3 :: 2.4620 HG2 :: 2.1280 HG3 :: 2.2400 HD2 :: 3.8790 HD3 :: 4.0650 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.G77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 C 0.06 L 0.05 C Shift Assignments>> C :: 175.0420 CA :: 46.9650 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.8520 HA2 :: 3.7460 HA3 :: 3.9150 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.0670 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>> L 0.55 C 0.38 R 0.04 C Shift Assignments>> C :: 178.6396 CA :: 57.8920 CB :: 42.0820 CG :: 26.8710 CD1 :: 25.4180 CD2 :: 24.1470 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 :: 7.6050 HA :: 4.0210 HB2 :: 1.9167 HB3 :: 1.8550 HG :: 1.0500 HD11 :: 0.9980 HD12 :: 0.9980 HD13 :: 0.9980 HD21 :: 0.9320 HD22 :: 0.9320 HD23 :: 0.9320 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 :: 120.9290 Ave N Shift Values>> N :: 121.86(3.9) 1.Q79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 Q 0.2 K 0.18 R 0.07 I 0.05 E 0.04 P 0.01 HN Overlap>> 1.V8 1.V8 C Shift Assignments>> C :: 178.7410 CA :: 59.8270 CB :: 27.9490 CG :: 33.9400 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 :: 8.5760 HA :: 4.0500 HB2 :: 2.3100 HB3 :: 2.2700 HG2 :: 2.4140 HG3 :: 2.4630 HE21 :: 6.8950 HE22 :: 7.3920 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 :: 121.2970 NE2 :: 111.2500 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 K 0.27 R 0.22 G 0.04 C Shift Assignments>> C :: 179.3920 CA :: 59.6010 CB :: 33.2460 CG :: 25.7860 CD :: 29.0690 CE :: 43.0100 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 :: 8.0800 HA :: 3.9400 HB2 :: 1.9850 HB3 :: 1.9850 HG2 :: 1.5100 HG3 :: 1.5100 HD2 :: 1.6800 HD3 :: 1.9040 HE2 :: 3.2400 HE3 :: 3.2400 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.1640 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.56 A 0.37 I 0.03 C 0.02 HN Overlap>> 1.E16 1.E16 C Shift Assignments>> C :: 178.3220 CA :: 55.1630 CB :: 17.9940 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.7950 HA :: 3.0950 HB1 :: 0.8400 HB2 :: 0.8400 HB3 :: 0.8400 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.3220 Ave N Shift Values>> N :: 123.23(3.54) 1.S82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.2806 CA :: 62.0310 CB :: 62.8980 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.3370 HA :: 3.9970 HB2 :: 3.8980 HB3 :: 3.8980 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 113.5830 Ave N Shift Values>> N :: 116.28(3.52) 1.I83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.86 C 0.13 HN Overlap>> 1.D58 1.R119 1.D58 1.R119 C Shift Assignments>> C :: 179.8990 CA :: 64.9020 CB :: 38.0000 CG1 :: 29.3410 CG2 :: 17.6610 CD1 :: 12.9480 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 :: 8.0800 HA :: 3.8400 HB :: 1.9710 HG12 :: 1.7800 HG13 :: 1.3040 HG21 :: 0.9760 HG22 :: 0.9760 HG23 :: 0.9760 HD11 :: 0.8970 HD12 :: 0.8970 HD13 :: 0.8970 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 :: 120.9070 Ave N Shift Values>> N :: 121.46(4.28) 1.F84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.52 F 0.24 C 0.23 C Shift Assignments>> C :: 177.7510 CA :: 62.1290 CB :: 39.1940 CD1 :: 131.2600 CE1 :: 132.6500 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 :: 8.1030 HA :: 4.2290 HB2 :: 3.2420 HB3 :: 3.1750 HD1 :: 7.0980 HE1 :: 7.4200 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 :: 123.0780 Ave N Shift Values>> N :: 120.45(4.18) 1.L85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.43 C 0.36 R 0.15 G 0.03 C Shift Assignments>> C :: 179.2033 CA :: 57.8230 CB :: 42.9610 CG :: 27.6000 CD1 :: 25.6510 CD2 :: 24.2000 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 :: 8.5940 HA :: 3.9950 HB2 :: 1.7250 HB3 :: 2.0250 HG :: 1.9710 HD11 :: 1.1070 HD12 :: 1.1070 HD13 :: 1.1070 HD21 :: 1.1760 HD22 :: 1.1760 HD23 :: 1.1760 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 :: 120.8920 Ave N Shift Values>> N :: 121.86(3.9) 1.K86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 K 0.27 R 0.24 G 0.01 HN Overlap>> 1.M177 1.M177 C Shift Assignments>> C :: 178.8820 CA :: 59.7050 CB :: 34.4850 CG :: 26.2000 CD :: 29.5400 CE :: 42.2940 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 :: 8.3430 HA :: 4.2250 HB2 :: 1.9780 HB3 :: 1.9780 HG2 :: 1.5000 HG3 :: 1.7860 HD2 :: 1.7220 HD3 :: 1.7220 HE2 :: 3.0020 HE3 :: 3.0020 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 :: 115.9250 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T87 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 :: 174.2710 CA :: 61.7010 CB :: 68.5100 CG2 :: 21.9390 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 :: 8.2120 HA :: 4.7120 HB :: 4.4330 HG21 :: 1.2620 HG22 :: 1.2620 HG23 :: 1.2620 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 :: 105.8120 Ave N Shift Values>> N :: 115.42(4.75) 1.R88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.36 C 0.35 R 0.18 K 0.08 G 0.01 HN Overlap>> 1.K50 1.K50 C Shift Assignments>> C :: 174.4850 CA :: 56.4890 CB :: 27.1690 CG :: 27.2000 CD :: 42.2830 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 :: 8.3570 HA :: 3.4530 HB2 :: 2.1560 HB3 :: 1.5510 HG2 :: 1.5522 HG3 :: 1.9650 HD2 :: 2.8000 HD3 :: 2.9040 HE :: 6.8100 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 :: 119.5020 NE :: 84.6080 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.V89 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 :: 176.3171 CA :: 62.9500 CB :: 32.4110 CG1 :: 22.2600 CG2 :: 21.0010 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 :: 7.0600 HA :: 4.1960 HB :: 1.7480 HG11 :: 0.9700 HG12 :: 0.9700 HG13 :: 0.9700 HG21 :: 0.9700 HG22 :: 0.9700 HG23 :: 0.9700 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 :: 119.8230 Ave N Shift Values>> N :: 121.14(4.54) 1.V90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 V 0.43 C Shift Assignments>> C :: 172.8456 CA :: 60.0500 CB :: 31.7950 CG1 :: 19.9000 CG2 :: 21.6000 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 :: 8.1850 HA :: 4.2080 HB :: 2.3100 HG11 :: 1.2900 HG12 :: 1.2900 HG13 :: 1.2900 HG21 :: 1.4250 HG22 :: 1.4250 HG23 :: 1.4250 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 :: 126.5200 Ave N Shift Values>> N :: 121.14(4.54) 1.P91 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 :: 177.6140 CA :: 62.3320 CB :: 32.6960 CG :: 27.3550 CD :: 49.7420 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 :: 4.4550 HB2 :: 2.0000 HB3 :: 2.1670 HG2 :: 1.3100 HG3 :: 0.9300 HD2 :: 2.5870 HD3 :: 3.1450 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.D92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.28 Y 0.27 C 0.13 D 0.09 L 0.09 I 0.07 K 0.02 N 0.02 C Shift Assignments>> C :: 178.0765 CA :: 57.5990 CB :: 40.0260 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 :: 8.9840 HA :: 4.2650 HB2 :: 2.7370 HB3 :: 2.8520 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 :: 121.0770 Ave N Shift Values>> N :: 120.65(3.86) 1.N93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.24 M 0.21 E 0.17 N 0.1 Q 0.08 K 0.08 Y 0.03 F 0.02 H 0.01 C Shift Assignments>> C :: 175.5940 CA :: 54.1590 CB :: 35.5720 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 :: 8.6640 HA :: 4.8960 HB2 :: 3.3060 HB3 :: 2.9370 HD21 :: 7.3700 HD22 :: 6.3600 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 :: 112.5700 ND2 :: 109.5100 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.W94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.39 W 0.33 C 0.26 HN Overlap>> 1.K7 1.K7 C Shift Assignments>> C :: 174.2720 CA :: 55.6400 CB :: 28.7130 CZ3 :: 120.6468 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 :: 8.3050 HA :: 4.9830 HB2 :: 3.4100 HB3 :: 3.5400 HD1 :: 6.8300 HE3 :: 7.3400 HZ3 :: 7.6100 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 :: 119.3000 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.K95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.28 C 0.23 Y 0.11 M 0.11 N 0.08 F 0.06 K 0.03 I 0.02 Q 0.01 C Shift Assignments>> C :: 173.6210 CA :: 55.7920 CB :: 36.5580 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 :: 7.9570 HA :: 4.6460 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.2720 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.M96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.39 A 0.3 C 0.29 HN Overlap>> 1.K139 1.Q174 1.K139 1.Q174 C Shift Assignments>> C :: 173.9470 CA :: 54.3660 CB :: 35.7000 CG :: 31.2000 CE :: 17.1870 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 :: 7.6400 HA :: 4.6520 HB2 :: 1.9800 HB3 :: 1.9800 HG2 :: 2.5170 HG3 :: 2.5170 HE1 :: 2.1200 HE2 :: 2.1200 HE3 :: 2.1200 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 119.3530 Ave N Shift Values>> N :: 120.09(3.57) 1.D97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.25 D 0.23 K 0.18 F 0.09 Y 0.06 R 0.05 C 0.05 N 0.03 HN Overlap>> 1.T35 1.T35 C Shift Assignments>> C :: 177.6089 CA :: 55.0800 CB :: 41.7610 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 :: 8.5960 HA :: 4.6200 HB2 :: 2.8400 HB3 :: 2.7370 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 :: 122.7470 Ave N Shift Values>> N :: 120.65(3.86) 1.I98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.63 C 0.36 HN Overlap>> 1.F203 1.F203 C Shift Assignments>> C :: 176.6350 CA :: 60.7000 CB :: 38.3790 CG1 :: 27.6010 CG2 :: 18.4650 CD1 :: 14.7000 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 :: 8.4900 HA :: 4.2700 HB :: 1.8940 HG12 :: 1.2700 HG13 :: 1.3550 HG21 :: 0.8220 HG22 :: 0.8220 HG23 :: 0.8220 HD11 :: 0.8510 HD12 :: 0.8510 HD13 :: 0.8510 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 123.2000 Ave N Shift Values>> N :: 121.46(4.28) 1.S99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.F154 1.K38 1.F154 1.K38 C Shift Assignments>> C :: 176.1760 CA :: 61.7000 CB :: 62.7600 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.5290 HA :: 4.1590 HB2 :: 3.9920 HB3 :: 3.9920 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 :: 118.6810 Ave N Shift Values>> N :: 116.28(3.52) 1.E100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.39 C 0.36 I 0.08 K 0.07 Q 0.04 M 0.04 HN Overlap>> 1.F129 1.F129 C Shift Assignments>> C :: 177.6650 CA :: 57.9680 CB :: 29.8000 CG :: 36.3660 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 :: 8.1600 HA :: 4.2930 HB2 :: 2.2140 HB3 :: 2.0400 HG2 :: 2.3900 HG3 :: 2.3900 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 :: 119.8500 Ave N Shift Values>> N :: 120.67(3.48) 1.I101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.76 C 0.23 HN Overlap>> 1.I34 1.I34 C Shift Assignments>> C :: 177.3230 CA :: 62.7000 CB :: 38.4410 CG1 :: 27.6500 CG2 :: 17.0950 CD1 :: 13.7530 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 :: 7.3400 HA :: 3.8250 HB :: 1.7850 HG12 :: 0.8170 HG13 :: 1.3450 HG21 :: 0.5800 HG22 :: 0.5800 HG23 :: 0.5800 HD11 :: 0.5800 HD12 :: 0.5800 HD13 :: 0.5800 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 :: 119.3440 Ave N Shift Values>> N :: 121.46(4.28) 1.L102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.68 C 0.27 A 0.02 C Shift Assignments>> C :: 178.1220 CA :: 56.0060 CB :: 42.0220 CD1 :: 25.2500 CD2 :: 22.9210 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 :: 7.8650 HA :: 4.2820 HB2 :: 1.5800 HB3 :: 1.7580 HD11 :: 0.9160 HD12 :: 0.9160 HD13 :: 0.9160 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 :: 121.7800 Ave N Shift Values>> N :: 121.86(3.9) 1.E103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.39 C 0.35 K 0.07 M 0.06 Q 0.06 I 0.05 C Shift Assignments>> C :: 177.2110 CA :: 57.5460 CB :: 30.0560 CG :: 36.2000 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 :: 8.1830 HA :: 4.3050 HB2 :: 2.1645 HB3 :: 2.1090 HG2 :: 2.3900 HG3 :: 2.3900 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 :: 120.3089 Ave N Shift Values>> N :: 120.67(3.48) 1.S104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.7170 CA :: 58.9280 CB :: 63.9000 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.1930 HA :: 4.5630 HB2 :: 4.0600 HB3 :: 3.9960 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 :: 115.3900 Ave N Shift Values>> N :: 116.28(3.52) 1.S105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.6000 CA :: 58.6630 CB :: 64.0210 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.2100 HA :: 4.5690 HB2 :: 4.0578 HB3 :: 4.0010 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 :: 117.3500 Ave N Shift Values>> N :: 116.28(3.52) 1.S106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.8050 CA :: 58.5260 CB :: 63.9750 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.5670 HA :: 4.6330 HB2 :: 4.0638 HB3 :: 4.0200 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 :: 118.1000 Ave N Shift Values>> N :: 116.28(3.52) 1.S107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.6350 CA :: 58.7120 CB :: 63.8000 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.3950 HA :: 4.7000 HB2 :: 3.9900 HB3 :: 4.0600 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 :: 117.8000 Ave N Shift Values>> N :: 116.28(3.52) 1.K108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.45 C 0.42 R 0.06 Q 0.03 V 0.01 HN Overlap>> 1.L222 1.L222 C Shift Assignments>> CA :: 56.9327 CB :: 32.8166 CG :: 24.7779 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 :: 8.3390 HA :: 4.3813 HB2 :: 1.9006 HB3 :: 1.9925 HG2 :: 1.4952 HG3 :: 1.5660 HE2 :: 2.7519 HE3 :: 3.1195 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 :: 122.6336 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 L 0.22 K 0.12 F 0.11 Y 0.08 N 0.07 C 0.05 R 0.01 C Shift Assignments>> C :: 176.4620 CA :: 54.7940 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 :: 8.2950 HA :: 4.6840 HB2 :: 2.8640 HB3 :: 2.7500 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 :: 120.2000 Ave N Shift Values>> N :: 120.65(3.86) 1.K110 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent HN Overlap>> 1.A210 1.A210 1.I175 1.I175 H Shift Assignments>> H :: 8.2336 HA :: 4.3813 HB2 :: 1.9641 HB3 :: 1.5750 HG2 :: 0.9741 HG3 :: 1.5750 HE2 :: 2.8316 HE3 :: 3.1300 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.2996 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.35 M 0.11 Q 0.04 K 0.04 I 0.02 HN Overlap>> 1.V8 1.V8 C Shift Assignments>> C :: 176.4110 CA :: 56.6930 CB :: 30.4650 CG :: 36.3310 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 :: 8.3700 HA :: 4.3520 HB2 :: 2.0820 HB3 :: 2.0820 HG2 :: 2.3770 HG3 :: 2.3770 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 :: 121.2970 Ave N Shift Values>> N :: 120.67(3.48) 1.K112 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> HA :: 4.3813 HB2 :: 1.9241 HB3 :: 1.8300 HG2 :: 0.9741 HG3 :: 1.5650 HE2 :: 2.8316 HE3 :: 3.1300 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) 1.E113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.41 C 0.32 M 0.11 Q 0.06 K 0.06 I 0.01 HN Overlap>> 1.A170 1.A170 C Shift Assignments>> C :: 175.9330 CA :: 55.8200 CB :: 30.2800 CG :: 36.2000 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 :: 8.3500 HA :: 4.3710 HB2 :: 2.1160 HB3 :: 2.1160 HG2 :: 2.1200 HG3 :: 2.3700 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 :: 123.7300 Ave N Shift Values>> N :: 120.67(3.48) 1.L114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 C 0.35 R 0.05 G 0.01 C Shift Assignments>> C :: 177.3726 CA :: 56.6000 CB :: 42.5000 CG :: 27.1500 CD1 :: 23.6040 CD2 :: 24.9440 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 :: 8.3650 HA :: 4.3530 HB2 :: 1.6300 HB3 :: 1.7700 HG :: 1.7550 HD11 :: 0.9410 HD12 :: 0.9410 HD13 :: 0.9410 HD21 :: 0.9850 HD22 :: 0.9850 HD23 :: 0.9850 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 :: 125.9000 Ave N Shift Values>> N :: 121.86(3.9) 1.D115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 L 0.26 N 0.1 R 0.07 K 0.07 C 0.05 F 0.03 G 0.03 Y 0.02 C Shift Assignments>> C :: 172.8630 CA :: 51.5000 CB :: 42.2550 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 :: 9.3100 HA :: 5.1600 HB2 :: 3.2470 HB3 :: 2.4900 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 118.9390 Ave N Shift Values>> N :: 120.65(3.86) 1.P116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.86 C 0.13 C Shift Assignments>> C :: 178.0480 CA :: 65.1000 CB :: 31.9380 CG :: 27.5790 CD :: 50.7000 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 :: 4.1750 HB2 :: 2.1970 HB3 :: 2.3400 HG2 :: 2.2500 HG3 :: 2.1020 HD2 :: 3.6740 HD3 :: 4.0250 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.E117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 E 0.31 I 0.22 K 0.03 M 0.01 HN Overlap>> 1.Q125 1.Q125 C Shift Assignments>> C :: 179.7840 CA :: 59.8000 CB :: 29.7160 CG :: 36.8000 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 :: 8.3470 HA :: 4.2200 HB2 :: 2.1600 HB3 :: 2.1600 HG2 :: 2.4800 HG3 :: 2.4800 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 117.1600 Ave N Shift Values>> N :: 120.67(3.48) 1.E118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.1 Q 0.09 H 0.09 K 0.09 E 0.08 M 0.08 W 0.07 C 0.06 F 0.06 L 0.06 Y 0.06 S 0.03 D 0.03 C Shift Assignments>> C :: 177.9920 CA :: 56.7350 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 :: 8.0030 HB2 :: 2.1380 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 :: 122.4000 Ave N Shift Values>> N :: 120.67(3.48) 1.R119 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.44 K 0.34 R 0.11 L 0.1 HN Overlap>> 1.I83 1.I83 C Shift Assignments>> C :: 178.2670 CA :: 59.2700 CB :: 28.2400 CG :: 25.6160 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 :: 8.0350 HA :: 2.5900(S) HB2 :: 1.7260 HB3 :: 1.3809 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 :: 120.9990 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.D120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.3 F 0.29 C 0.15 I 0.12 D 0.04 L 0.04 N 0.01 C Shift Assignments>> C :: 177.3726 CA :: 58.1640 CB :: 39.3920 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 :: 8.2690 HA :: 4.3190 HB2 :: 2.6790 HB3 :: 2.8930 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.7500 Ave N Shift Values>> N :: 120.65(3.86) 1.N121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.27 F 0.25 C 0.15 D 0.1 N 0.06 L 0.06 I 0.05 E 0.01 C Shift Assignments>> C :: 176.6640 CA :: 56.7660 CB :: 39.1680 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 :: 7.7850 HA :: 4.6280 HB2 :: 3.5230 HB3 :: 3.2580 HD21 :: 6.9100 HD22 :: 7.3900 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 :: 119.0000 ND2 :: 112.4758 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.F122 Overall: Suspicious Typing: Suspicious SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 Y 0.49 C Shift Assignments>> C :: 176.7190 CA :: 61.9000 CB :: 38.6660 CE1 :: 124.3600(S) 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 :: 8.6100 HA :: 3.7359 HB2 :: 2.0930 HB3 :: 2.7470 HD1 :: 6.7510 HE1 :: 6.2100 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 :: 120.1000 Ave N Shift Values>> N :: 120.45(4.18) 1.L123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 L 0.35 R 0.09 G 0.02 C Shift Assignments>> C :: 179.4220 CA :: 58.2310 CB :: 42.4370 CG :: 26.2490 CD1 :: 22.6500 CD2 :: 26.2490 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.8650 HA :: 3.8960 HB2 :: 2.2100 HB3 :: 2.0700 HG :: 1.0470 HD11 :: 1.2300 HD12 :: 1.2300 HD13 :: 1.2300 HD21 :: 1.0470 HD22 :: 1.0470 HD23 :: 1.0470 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.4500 Ave N Shift Values>> N :: 121.86(3.9) 1.Q124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.24 W 0.15 V 0.15 R 0.08 E 0.08 H 0.06 K 0.05 I 0.04 P 0.04 Q 0.03 M 0.03 HN Overlap>> 1.Y127 1.Y127 C Shift Assignments>> C :: 181.1400 CA :: 60.4600 CB :: 30.9990 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 :: 9.2200 HA :: 4.0880 HB2 :: 1.8487 HB3 :: 1.8487 HG2 :: 2.7857 HE21 :: 7.4968 HE22 :: 6.9166 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 :: 118.1090 NE2 :: 110.3867 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.24 W 0.15 V 0.14 R 0.08 E 0.08 H 0.07 K 0.05 I 0.04 Q 0.03 P 0.03 M 0.03 HN Overlap>> 1.E117 1.E117 C Shift Assignments>> C :: 179.6080 CA :: 60.4000 CB :: 30.9910 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 :: 8.3800 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 :: 117.2000 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L126 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.59 K 0.23 L 0.16 C Shift Assignments>> C :: 178.3790 CA :: 58.1000 CB :: 41.1800 CD1 :: 27.8000 CD2 :: 23.0110 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 :: 9.1400 HA :: 2.8350 HB2 :: -0.0900(S) HB3 :: 1.3260 HG :: 0.9410 HD11 :: 0.6670 HD12 :: 0.6670 HD13 :: 0.6670 HD21 :: 0.5340 HD22 :: 0.5340 HD23 :: 0.5340 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 :: 126.3500 Ave N Shift Values>> N :: 121.86(3.9) 1.Y127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.52 C 0.47 HN Overlap>> 1.Q124 1.Q124 C Shift Assignments>> C :: 179.8010 CA :: 63.3030 CB :: 37.2240 CD1 :: 132.7000 CE1 :: 118.3000 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 9.2900 HA :: 3.8500 HB2 :: 3.2040 HB3 :: 3.0280 HD1 :: 7.3805 HE1 :: 6.7300 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 118.0730 Ave N Shift Values>> N :: 120.52(4.2) 1.K128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.18 C 0.17 M 0.15 R 0.1 H 0.09 Q 0.09 W 0.08 E 0.06 V 0.03 C Shift Assignments>> C :: 176.5660 CA :: 57.3060 CB :: 32.5280 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 :: 7.1570 HA :: 4.2400 HB2 :: 2.1310 HB3 :: 2.5120 HG2 :: 1.8215 HG3 :: 1.3766 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.3750 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.56 C 0.14 F 0.14 Y 0.13 HN Overlap>> 1.E100 1.E100 C Shift Assignments>> C :: 175.5660 CA :: 62.6300 CB :: 39.6980 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 :: 8.1820 HA :: 3.9200 HB2 :: 3.5249 HB3 :: 3.5249 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 :: 119.8320 Ave N Shift Values>> N :: 120.45(4.18) 1.M130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.68 M 0.24 A 0.06 C Shift Assignments>> C :: 177.7530 CA :: 57.3760 CB :: 31.9010 CG :: 30.5460 CE :: 19.6080 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 :: 8.3500 HA :: 4.4700 HB2 :: 2.0730 HB3 :: 2.0730 HE1 :: 2.5550 HE2 :: 2.5550 HE3 :: 2.5550 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 116.3110 Ave N Shift Values>> N :: 120.09(3.57) 1.E131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 E 0.29 I 0.17 K 0.06 Q 0.04 M 0.01 C Shift Assignments>> C :: 180.0940 CA :: 60.2140 CB :: 29.6000 CG :: 35.9000 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 :: 7.8050 HA :: 3.8170 HB2 :: 2.2140 HB3 :: 2.1200 HG2 :: 2.2800 HG3 :: 2.2800 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 :: 120.3000 Ave N Shift Values>> N :: 120.67(3.48) 1.D132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.28 Y 0.25 C 0.12 L 0.1 D 0.08 I 0.07 K 0.05 N 0.01 C Shift Assignments>> C :: 178.0694 CA :: 57.7570 CB :: 40.4250 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 :: 8.8080 HA :: 4.4600 HB2 :: 2.4830 HB3 :: 2.4830 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 :: 120.7780 Ave N Shift Values>> N :: 120.65(3.86) 1.R133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.42 C 0.41 R 0.14 C Shift Assignments>> C :: 175.6710 CA :: 56.3010 CB :: 30.3250 CG :: 26.3400 CD :: 45.0230 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 :: 8.0940 HA :: 4.2350 HB2 :: 1.0950 HB3 :: 1.3789 HG2 :: 1.5920 HG3 :: 1.1770 HD2 :: 2.5654 HD3 :: 2.7240 HE :: 7.2100 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 :: 118.2860 NE :: 85.4440 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.G134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.64 L 0.19 R 0.07 C 0.04 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 174.0170 CA :: 44.7430 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.6480 HA2 :: 3.8540 HA3 :: 4.4300 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.6340 Ave N Shift Values>> N :: 109.67(3.87) 1.T135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.72 C 0.21 T 0.05 C Shift Assignments>> CA :: 56.5250 CB :: 70.5000 CG2 :: 19.0000 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 :: 8.2570 HA :: 4.8000 HB :: 4.4970 HG21 :: 1.0430 HG22 :: 1.0430 HG23 :: 1.0430 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 :: 109.6000 Ave N Shift Values>> N :: 115.42(4.75) 1.P136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.7 C 0.29 C Shift Assignments>> C :: 176.6540 CA :: 62.8970 CB :: 32.5580 CG :: 27.7140 CD :: 50.7330 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 :: 4.0650 HB2 :: 2.0800 HB3 :: 2.0800 HD2 :: 3.5802 HD3 :: 3.3040 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.I137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.64 C 0.35 C Shift Assignments>> C :: 175.7537 CA :: 61.6940 CB :: 36.4930 CG1 :: 27.6030 CG2 :: 18.4440 CD1 :: 12.5330 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 :: 8.8140 HA :: 4.1530 HB :: 1.6400 HG12 :: 1.5000 HG13 :: 0.9664 HG21 :: 0.8640 HG22 :: 0.8640 HG23 :: 0.8640 HD11 :: 0.3320 HD12 :: 0.3320 HD13 :: 0.3320 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 :: 121.8190 Ave N Shift Values>> N :: 121.46(4.28) 1.N138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.31 D 0.24 F 0.12 Y 0.11 C 0.09 L 0.09 HN Overlap>> 1.A187 1.A187 C Shift Assignments>> C :: 174.5571 CA :: 54.2690 CB :: 39.4040 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 :: 8.4390 HA :: 4.8590 HB2 :: 2.9500 HB3 :: 2.8800 HD21 :: 7.6450 HD22 :: 6.9110 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 :: 125.0020 ND2 :: 112.2110 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.56 C 0.33 R 0.06 G 0.02 A 0.01 HN Overlap>> 1.M96 1.M96 1.Q174 1.Q174 C Shift Assignments>> C :: 172.9723 CA :: 53.7580 CB :: 34.0480 CG :: 24.3600 CD :: 29.3800 CE :: 42.3800 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 :: 7.7000 HA :: 4.8200 HB2 :: 1.7900 HB3 :: 1.9100 HG2 :: 1.4940 HG3 :: 1.4940 HD2 :: 1.7900 HD3 :: 1.7900 HE2 :: 3.1000 HE3 :: 3.1000 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 :: 119.3410 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.52 C 0.47 C Shift Assignments>> CA :: 61.5000 CB :: 31.4700 CG :: 28.0000 CD :: 50.6000 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 :: 4.5960 HB2 :: 1.9150 HB3 :: 2.4050 HG2 :: 2.2100 HG3 :: 2.0502 HD2 :: 3.9000 HD3 :: 3.6900 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.P141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.69 C 0.3 C Shift Assignments>> C :: 176.0990 CA :: 62.7000 CB :: 32.3370 CG :: 27.5510 CD :: 50.8100 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 :: 4.4400 HB2 :: 1.6000 HB3 :: 1.6000 HG2 :: 1.7200 HG3 :: 1.2400 HD2 :: 3.8220 HD3 :: 3.7240 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.V142 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 :: 174.5810 CA :: 60.8680 CB :: 36.1000 CG1 :: 20.0200 CG2 :: 21.1000 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 :: 8.1900 HA :: 4.7400 HB :: 1.8500 HG11 :: 0.9210 HG12 :: 0.9210 HG13 :: 0.9210 HG21 :: 0.8130 HG22 :: 0.8130 HG23 :: 0.8130 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 :: 120.4600 Ave N Shift Values>> N :: 121.14(4.54) 1.L143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.53 L 0.22 C 0.22 R 0.01 C Shift Assignments>> C :: 175.8610 CA :: 54.9180 CB :: 45.3570 CG :: 27.3820 CD1 :: 24.2540 CD2 :: 26.3720 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 :: 8.6230 HA :: 4.5970 HB2 :: 1.7600 HB3 :: 1.3820 HG :: 1.5388 HD11 :: 1.0130 HD12 :: 1.0130 HD13 :: 1.0130 HD21 :: 0.8190 HD22 :: 0.8190 HD23 :: 0.8190 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 :: 124.6000 Ave N Shift Values>> N :: 121.86(3.9) 1.G144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 C 0.09 L 0.04 A 0.03 P 0.03 C Shift Assignments>> C :: 174.1340 CA :: 47.5000 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.9980 HA2 :: 3.6060 HA3 :: 3.9080 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 116.9000 Ave N Shift Values>> N :: 109.67(3.87) 1.Y145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.49 C 0.48 H 0.01 C Shift Assignments>> C :: 174.4390 CA :: 59.0240 CB :: 36.7380 CD1 :: 133.1180 CE1 :: 118.4310 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 :: 8.3010 HA :: 4.1920 HB2 :: 3.3540 HB3 :: 3.3000 HD1 :: 7.1910 HE1 :: 6.9410 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 :: 113.2747 Ave N Shift Values>> N :: 120.52(4.2) 1.K146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.48 C 0.39 R 0.09 G 0.02 C Shift Assignments>> C :: 175.2380 CA :: 54.3740 CB :: 35.4200 CG :: 24.5420 CD :: 29.1930 CE :: 42.3580 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 :: 7.6700 HA :: 4.7930 HB2 :: 1.9800 HB3 :: 1.8800 HG2 :: 1.5860 HG3 :: 1.5860 HD2 :: 1.8290 HD3 :: 1.8290 HE2 :: 3.1560 HE3 :: 3.1560 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 :: 119.7500 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D147 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> D 0.23 F 0.19 L 0.16 Y 0.16 C 0.09 N 0.07 K 0.04 I 0.01 C Shift Assignments>> C :: 176.6640 CA :: 55.8650 CB :: 40.4030 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 :: 8.5380 HA :: 4.5750 HB2 :: 2.7150 HB3 :: 2.5940 HD2 :: 4.5750(A) 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 :: 121.9630 Ave N Shift Values>> N :: 120.65(3.86) 1.L148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 C 0.2 R 0.16 G 0.08 A 0.01 C Shift Assignments>> C :: 175.2780 CA :: 54.2230 CB :: 43.3660 CG :: 27.3630 CD1 :: 26.3000 CD2 :: 23.7200 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 :: 8.4100 HA :: 4.4000 HB2 :: 1.5200 HB3 :: 1.0840 HG :: 1.3250 HD11 :: 0.8210 HD12 :: 0.8210 HD13 :: 0.8210 HD21 :: 0.9800 HD22 :: 0.9800 HD23 :: 0.9800 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 :: 125.6530 Ave N Shift Values>> N :: 121.86(3.9) 1.N149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.59 C 0.18 M 0.05 E 0.04 Y 0.04 D 0.03 F 0.03 C Shift Assignments>> C :: 174.4164 CA :: 52.0910 CB :: 36.9500 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 :: 9.4010 HA :: 4.7830 HB2 :: 3.2640 HB3 :: 2.9700 HD21 :: 7.6130 HD22 :: 8.2360 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 127.2410 ND2 :: 115.7990 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L150 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.44 C 0.41 R 0.09 G 0.04 C Shift Assignments>> C :: 177.8653 CA :: 58.5280 CB :: 42.9000 CG :: 26.6000 CD1 :: 25.9000 CD2 :: 22.6500 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 :: 8.3320 HA :: 4.0400 HB2 :: 2.0980 HB3 :: 2.0980 HG :: 1.8700 HD11 :: 0.9500 HD12 :: 0.9500 HD13 :: 0.9500 HD21 :: 0.7570 HD22 :: 0.7570 HD23 :: 0.7570 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 :: 125.7600 Ave N Shift Values>> N :: 121.86(3.9) 1.F151 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.3 F 0.28 C 0.16 I 0.12 D 0.04 L 0.04 N 0.01 C Shift Assignments>> C :: 176.6060 CA :: 58.0360 CB :: 39.2000 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 :: 8.9340 HA :: 3.9200 HB2 :: 3.0040 HB3 :: 3.0980 HD1 :: 6.3870 HE1 :: 6.2000 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 118.5000 Ave N Shift Values>> N :: 120.45(4.18) 1.K152 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 K 0.27 R 0.14 Q 0.04 P 0.02 V 0.01 C Shift Assignments>> C :: 178.0070 CA :: 59.5800 CB :: 32.6000 CG :: 25.8550 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 :: 7.5200 HA :: 3.6950 HB2 :: 1.6381 HB3 :: 1.8400 HG2 :: 0.9590 HG3 :: 1.4650 HD2 :: 1.3527 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 :: 119.1000 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L153 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 L 0.42 C Shift Assignments>> C :: 176.9754 CA :: 58.7806 CB :: 40.6550 CG :: 26.2498 CD1 :: 26.6000 CD2 :: 23.5300 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 :: 8.3100 HA :: 4.2095 HB2 :: 2.2250 HB3 :: 2.2250 HG :: 2.0800 HD11 :: 1.2400 HD12 :: 1.2400 HD13 :: 1.2400 HD21 :: 1.2930 HD22 :: 1.2930 HD23 :: 1.2930 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.0400 Ave N Shift Values>> N :: 121.86(3.9) 1.F154 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.43 F 0.31 C 0.25 HN Overlap>> 1.S99 1.S99 C Shift Assignments>> C :: 176.9880 CA :: 62.9090 CB :: 40.4710 CD1 :: 132.8010 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 :: 8.6320 HA :: 4.4680 HB2 :: 3.5600 HB3 :: 3.1400 HD1 :: 7.3468 HE1 :: 7.0335 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 118.7000 Ave N Shift Values>> N :: 120.45(4.18) 1.R155 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.L156 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> F 0.3 Y 0.29 C 0.14 I 0.1 L 0.06 D 0.06 N 0.01 K 0.01 C Shift Assignments>> C :: 180.4740 CA :: 58.0610 CB :: 39.8040 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> HA :: 4.0924 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) 1.V157 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.61 C 0.38 HN Overlap>> 1.Q40 1.S13 1.Q40 1.S13 C Shift Assignments>> C :: 178.9750 CA :: 66.3400 CB :: 31.2000 CG1 :: 20.4600 CG2 :: 24.7930 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 :: 8.0800 HA :: 3.2640 HB :: 2.0150 HG11 :: 0.3380 HG12 :: 0.3380 HG13 :: 0.3380 HG21 :: 0.7520 HG22 :: 0.7520 HG23 :: 0.7520 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 :: 119.3500 Ave N Shift Values>> N :: 121.14(4.54) 1.Y158 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.42 C 0.39 F 0.17 C Shift Assignments>> C :: 180.4696 CA :: 62.3530 CB :: 37.9500 CD1 :: 133.1860 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 :: 8.9200 HA :: 3.7100 HB2 :: 2.8700 HB3 :: 2.7100 HD1 :: 6.8700 HE1 :: 6.7100 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 125.5410 Ave N Shift Values>> N :: 120.52(4.2) 1.H159 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.16 C 0.15 E 0.14 H 0.12 R 0.12 Q 0.1 K 0.09 M 0.03 I 0.03 V 0.01 C Shift Assignments>> C :: 176.3350 CA :: 58.3500 CB :: 29.9120 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.1100 HA :: 4.4450 HB2 :: 3.3850 HB3 :: 3.3563 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 :: 116.9000 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.Q160 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.25 C 0.24 K 0.23 Q 0.19 M 0.05 C Shift Assignments>> C :: 175.2050 CA :: 54.4940 CB :: 27.8360 CG :: 32.4770 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 :: 7.1460 HA :: 4.2690 HB2 :: 1.6900 HB3 :: 2.3330 HG2 :: 2.0016 HG3 :: 2.5000 HE21 :: 7.7680 HE22 :: 6.8200 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 :: 114.8000 NE2 :: 112.5890 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G161 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.75 L 0.14 C 0.03 R 0.03 F 0.01 D 0.01 C Shift Assignments>> C :: 175.0450 CA :: 45.0180 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.6100 HA2 :: 3.6000 HA3 :: 4.2520 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.3420 Ave N Shift Values>> N :: 109.67(3.87) 1.G162 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.29 R 0.28 G 0.23 F 0.04 D 0.04 C 0.04 Y 0.02 C Shift Assignments>> C :: 172.8940 CA :: 43.9610 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.6430 HA2 :: 3.3430 HA3 :: 4.5480 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.9000 Ave N Shift Values>> N :: 109.67(3.87) 1.C163 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.44 P 0.31 C 0.14 W 0.03 V 0.03 C Shift Assignments>> C :: 177.0207 CA :: 63.5500 CB :: 28.4480 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.2130 HA :: 3.7250 HB2 :: 3.2600 HB3 :: 3.3650 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 :: 120.8180 Ave N Shift Values>> N :: 120.17(4.64) 1.D164 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.23 Y 0.21 D 0.17 L 0.13 C 0.1 N 0.05 I 0.03 K 0.03 C Shift Assignments>> C :: 176.3872 CA :: 56.5000 CB :: 40.1850 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 :: 9.5450 HA :: 4.6790 HB2 :: 2.6260 HB3 :: 2.9200 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 116.1940 Ave N Shift Values>> N :: 120.65(3.86) 1.N165 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 N 0.32 L 0.12 F 0.07 C 0.06 Y 0.06 K 0.01 C Shift Assignments>> C :: 174.9950 CA :: 53.2380 CB :: 40.1220 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 :: 7.6560 HA :: 4.8760 HB2 :: 2.3540 HB3 :: 2.8800 HD21 :: 7.8467 HD22 :: 6.9692 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 :: 116.5630 ND2 :: 114.3510 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.I166 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 :: 176.1410 CA :: 62.0280 CB :: 37.3550 CG1 :: 26.2100 CG2 :: 18.0940 CD1 :: 13.8300 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 :: 7.3780 HA :: 4.0250 HB :: 1.7540 HG12 :: 1.4780 HG13 :: 0.4650 HG21 :: 0.1860 HG22 :: 0.1860 HG23 :: 0.1860 HD11 :: -0.1630 HD12 :: -0.1630 HD13 :: -0.1630 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 :: 120.3030 Ave N Shift Values>> N :: 121.46(4.28) 1.D167 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.26 K 0.14 F 0.07 N 0.06 R 0.05 Y 0.04 C 0.04 C Shift Assignments>> C :: 175.9310 CA :: 54.0000 CB :: 41.7770 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 :: 8.6870 HA :: 4.9080 HB2 :: 2.8800 HB3 :: 2.7200 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 127.4640 Ave N Shift Values>> N :: 120.65(3.86) 1.S168 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.7846 CA :: 56.7040 CB :: 65.1900 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.3150 HA :: 4.9600 HB2 :: 3.8880 HB3 :: 4.1710 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 111.8300 Ave N Shift Values>> N :: 116.28(3.52) 1.G169 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.83 C 0.07 L 0.04 A 0.01 P 0.01 C Shift Assignments>> CA :: 47.3089 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.2700 HA2 :: 4.2415 HA3 :: 3.8970 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 115.3000 Ave N Shift Values>> N :: 109.67(3.87) 1.A170 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.49 A 0.43 I 0.03 C 0.03 HN Overlap>> 1.E113 1.E113 C Shift Assignments>> C :: 180.6710 CA :: 55.1250 CB :: 18.3790 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.3050 HA :: 4.2660 HB1 :: 1.5560 HB2 :: 1.5560 HB3 :: 1.5560 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.7000 Ave N Shift Values>> N :: 123.23(3.54) 1.V171 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.89 C 0.1 C Shift Assignments>> C :: 178.5710 CA :: 65.8610 CB :: 31.0000 CG1 :: 22.2590 CG2 :: 21.1340 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 :: 7.4630 HA :: 3.8100 HB :: 2.0200 HG11 :: 1.0740 HG12 :: 1.0740 HG13 :: 1.0740 HG21 :: 0.6930 HG22 :: 0.6930 HG23 :: 0.6930 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 :: 119.9570 Ave N Shift Values>> N :: 121.14(4.54) 1.W172 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.54 W 0.45 C Shift Assignments>> C :: 178.1820 CA :: 61.2500 CB :: 29.7030 CD1 :: 128.0000 CZ2 :: 115.7080 CH2 :: 123.8000 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 :: 7.0700 HA :: 4.5800 HB2 :: 1.3230(S) HB3 :: 1.3230(S) HD1 :: 7.2540 HE1 :: 10.1070 HE3 :: 6.7300 HZ2 :: 7.7220 HZ3 :: 7.2300 HH2 :: 6.6352 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 :: 119.1320 NE1 :: 129.4100 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.K173 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 K 0.36 R 0.13 G 0.01 C Shift Assignments>> C :: 177.5900 CA :: 60.4840 CB :: 32.3810 CG :: 25.6980 CD :: 29.4520 CE :: 42.2660 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 :: 8.4620 HA :: 3.9429 HB2 :: 2.0500 HB3 :: 2.0500 HG2 :: 1.5020 HG3 :: 1.5020 HD2 :: 1.8310 HD3 :: 1.8310 HE2 :: 3.0450 HE3 :: 3.0450 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 :: 119.2340 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q174 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 Q 0.25 K 0.25 R 0.08 E 0.04 M 0.01 I 0.01 HN Overlap>> 1.M96 1.K139 1.M96 1.K139 C Shift Assignments>> C :: 177.9910 CA :: 58.5110 CB :: 28.3010 CG :: 33.6980 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 :: 7.6910 HA :: 4.0980 HB2 :: 2.3790 HB3 :: 2.2900 HG2 :: 2.5060 HG3 :: 2.4460 HE21 :: 7.8880 HE22 :: 6.8890 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 :: 119.3330 NE2 :: 115.8420 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I175 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.86 C 0.13 HN Overlap>> 1.A210 1.K110 1.A210 1.K110 C Shift Assignments>> C :: 176.9000 CA :: 66.0000 CB :: 37.5970 CG1 :: 29.9822 CG2 :: 17.5480 CD1 :: 14.1288 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 :: 8.1580 HA :: 3.8240 HB :: 2.3400 HG12 :: 0.9842 HG13 :: 1.7970 HG21 :: 0.9850 HG22 :: 0.9850 HG23 :: 0.9850 HD11 :: 0.3260 HD12 :: 0.3260 HD13 :: 0.3260 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 :: 121.2190 Ave N Shift Values>> N :: 121.46(4.28) 1.Y176 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.63 C 0.36 C Shift Assignments>> C :: 178.1310 CA :: 62.3310 CB :: 38.6140 CD1 :: 133.3000 CE1 :: 118.4561 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 :: 8.3100 HA :: 3.9800 HB2 :: 3.0730 HB3 :: 3.7335 HD1 :: 7.0970 HE1 :: 6.8120 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 :: 119.6170 Ave N Shift Values>> N :: 120.52(4.2) 1.M177 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 M 0.41 HN Overlap>> 1.K86 1.K86 C Shift Assignments>> C :: 180.8450 CA :: 59.1370 CB :: 32.4400 CG :: 32.6590 CE :: 16.7000 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 :: 8.3328 HA :: 4.4200 HB2 :: 2.8160 HB3 :: 3.0040 HG2 :: 2.4000 HG3 :: 2.3400 HE1 :: 2.2340 HE2 :: 2.2340 HE3 :: 2.2340 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 :: 115.9820 Ave N Shift Values>> N :: 120.09(3.57) 1.D178 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.21 Y 0.18 L 0.16 K 0.14 D 0.13 C 0.09 I 0.03 N 0.01 R 0.01 C Shift Assignments>> C :: 178.4988 CA :: 57.0430 CB :: 40.9820 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 :: 9.0362 HA :: 4.5610 HB2 :: 3.0340 HB3 :: 2.7500 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 :: 123.7890 Ave N Shift Values>> N :: 120.65(3.86) 1.L179 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.46 C 0.44 K 0.04 A 0.02 G 0.01 HN Overlap>> 1.W20 1.W20 C Shift Assignments>> C :: 178.6396 CA :: 56.4030 CB :: 42.2400 CD1 :: 22.8700 CD2 :: 26.3050 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 :: 8.0350 HA :: 4.1760 HB2 :: 1.6800 HB3 :: 1.6800 HD11 :: 0.9010 HD12 :: 0.9010 HD13 :: 0.9010 HD21 :: 0.9240 HD22 :: 0.9240 HD23 :: 0.9240 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 :: 120.0820 Ave N Shift Values>> N :: 121.86(3.9) 1.G180 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 :: 173.9120 CA :: 46.0000 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.2920 HA2 :: 3.9100 HA3 :: 4.1730 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.2000 Ave N Shift Values>> N :: 109.67(3.87) 1.I181 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.53 C 0.44 A 0.02 C Shift Assignments>> C :: 174.3409 CA :: 58.4000 CB :: 38.9870 CG1 :: 26.9000 CG2 :: 18.7680 CD1 :: 13.2200 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 :: 7.1563 HA :: 4.5100 HB :: 1.5855 HG12 :: 1.3262 HG13 :: 0.8780 HG21 :: 1.0420 HG22 :: 1.0420 HG23 :: 1.0420 HD11 :: 0.5710 HD12 :: 0.5710 HD13 :: 0.5710 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 :: 120.2480 Ave N Shift Values>> N :: 121.46(4.28) 1.P182 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.75 C 0.24 C Shift Assignments>> C :: 177.0410 CA :: 63.4170 CB :: 32.1270 CG :: 27.8000 CD :: 50.9000 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 :: 4.6000 HB2 :: 1.9900 HB3 :: 2.3800 HG2 :: 2.1900 HG3 :: 2.1900 HD2 :: 4.0200 HD3 :: 3.9000 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.I183 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 :: 176.0610 CA :: 61.5230 CB :: 37.9630 CG1 :: 28.0600 CG2 :: 17.6700 CD1 :: 13.1430 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 :: 8.4520 HA :: 4.1020 HB :: 1.9578 HG12 :: 1.1200 HG13 :: 1.7040 HG21 :: 0.9350 HG22 :: 0.9350 HG23 :: 0.9350 HD11 :: 0.9070 HD12 :: 0.9070 HD13 :: 0.9070 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 122.4367 Ave N Shift Values>> N :: 121.46(4.28) 1.L184 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 C 0.25 R 0.07 G 0.06 A 0.01 C Shift Assignments>> C :: 176.5560 CA :: 55.1970 CB :: 43.2170 CG :: 27.1000 CD1 :: 25.1770 CD2 :: 23.5040 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 :: 8.7240 HA :: 4.5900 HB2 :: 1.7700 HB3 :: 1.7700 HG :: 1.7200 HD11 :: 1.0270 HD12 :: 1.0270 HD13 :: 1.0270 HD21 :: 0.9760 HD22 :: 0.9760 HD23 :: 0.9760 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 :: 128.1240 Ave N Shift Values>> N :: 121.86(3.9) 1.N185 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.45 D 0.25 L 0.07 C 0.07 F 0.06 Y 0.06 C Shift Assignments>> C :: 175.5900 CA :: 52.8850 CB :: 39.4900 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 :: 7.8440 HA :: 4.8300 HB2 :: 3.1550 HB3 :: 3.1550 HD21 :: 7.7540 HD22 :: 7.0320 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 115.8600 ND2 :: 114.6000 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.S186 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 174.8330 CA :: 59.9970 CB :: 63.5960 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 4.4480 HB2 :: 4.0110 HB3 :: 4.1400 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) 1.A187 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.84 M 0.13 C 0.01 HN Overlap>> 1.N138 1.V12 1.N138 1.V12 C Shift Assignments>> C :: 176.8095 CA :: 52.3290 CB :: 18.6060 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.3320 HA :: 4.6500 HB1 :: 1.5060 HB2 :: 1.5060 HB3 :: 1.5060 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.9880 Ave N Shift Values>> N :: 123.23(3.54) 1.A188 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.63 A 0.22 I 0.08 C 0.03 C Shift Assignments>> C :: 178.4300 CA :: 56.1306 CB :: 18.1070 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.3390 HA :: 3.9210 HB1 :: 0.9200 HB2 :: 0.9200 HB3 :: 0.9200 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.4150 Ave N Shift Values>> N :: 123.23(3.54) 1.S189 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.1906 CA :: 61.5290 CB :: 62.9600 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.3700 HA :: 4.0030 HB2 :: 3.9125 HB3 :: 3.9125 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 111.2619 Ave N Shift Values>> N :: 116.28(3.52) 1.Y190 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.63 C 0.36 C Shift Assignments>> C :: 178.0500 CA :: 60.5650 CB :: 38.4900 CD1 :: 133.1800 CE1 :: 118.4580 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.6490 HA :: 4.1650 HB2 :: 3.0720 HB3 :: 3.1700 HD1 :: 7.1690 HE1 :: 6.8740 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 121.9850 Ave N Shift Values>> N :: 120.52(4.2) 1.N191 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.2 C 0.19 N 0.18 F 0.16 E 0.08 D 0.07 I 0.03 M 0.03 L 0.02 C Shift Assignments>> C :: 178.3860 CA :: 55.7210 CB :: 37.9930 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 :: 8.9070 HA :: 4.5370 HB2 :: 3.0880 HB3 :: 2.8930 HD21 :: 7.1250 HD22 :: 7.6440 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 :: 120.2210 ND2 :: 111.9500 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V192 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.76 C 0.23 C Shift Assignments>> C :: 174.8260 CA :: 65.0000 CB :: 31.7000 CG1 :: 21.6550 CG2 :: 23.8200 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 :: 8.5431 HA :: 4.2340 HB :: 2.4000 HG11 :: 1.6550 HG12 :: 1.6550 HG13 :: 1.6550 HG21 :: 1.2470 HG22 :: 1.2470 HG23 :: 1.2470 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 :: 120.5760 Ave N Shift Values>> N :: 121.14(4.54) 1.K193 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.66 M 0.25 K 0.04 Q 0.03 C Shift Assignments>> C :: 178.5570 CA :: 59.7220 CB :: 31.4200 CD :: 31.4580 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 :: 7.2981 HA :: 3.9621 HB2 :: 0.7051(S) HB3 :: 0.2408(S) HD2 :: 1.2242 HD3 :: 1.2242 HE2 :: 2.6509 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 :: 125.9040 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T194 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 C 0.02 C Shift Assignments>> C :: 176.9503 CA :: 66.5510 CB :: 68.4610 CG2 :: 21.5180 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 :: 8.0280 HA :: 3.7340 HB :: 4.0643 HG21 :: 1.1420 HG22 :: 1.1420 HG23 :: 1.1420 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 114.9832 Ave N Shift Values>> N :: 115.42(4.75) 1.A195 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.6 A 0.31 I 0.04 C 0.02 HN Overlap>> 1.Q213 1.Q213 C Shift Assignments>> C :: 179.4310 CA :: 55.3890 CB :: 17.8710 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.9090 HA :: 4.3100 HB1 :: 1.6760 HB2 :: 1.6760 HB3 :: 1.6760 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.4310 Ave N Shift Values>> N :: 123.23(3.54) 1.Y196 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.7 C 0.13 F 0.08 Y 0.07 HN Overlap>> 1.C207 1.C207 C Shift Assignments>> C :: 179.1440 CA :: 63.9920 CB :: 39.6150 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 :: 8.9610 HA :: 3.9200 HB2 :: 3.2900 HB3 :: 3.5363 HD1 :: 6.6950 HE1 :: 7.3500 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 :: 119.3570 Ave N Shift Values>> N :: 120.52(4.2) 1.R197 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 R 0.38 K 0.09 G 0.02 L 0.01 C Shift Assignments>> C :: 177.7500 CA :: 59.2000 CB :: 29.3000 CG :: 27.8666 CD :: 42.5600 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 :: 8.7640 HA :: 4.2550 HB2 :: 2.0321 HB3 :: 2.0321 HG2 :: 1.6800 HG3 :: 1.8432 HD2 :: 3.0290 HD3 :: 3.0880 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 :: 119.6670 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.K198 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.48 K 0.45 R 0.05 C Shift Assignments>> C :: 178.3050 CA :: 59.5604 CB :: 33.1560 CG :: 24.6550 CD :: 29.5300 CE :: 42.1500 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.0469 HA :: 4.0310 HB2 :: 1.6500 HB3 :: 1.3972 HG2 :: 1.0304 HG3 :: 0.3780(S) HD2 :: 1.4800 HD3 :: 1.3100 HE2 :: 2.7680 HE3 :: 2.8800 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.8060 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Y199 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.68 C 0.3 C Shift Assignments>> C :: 176.7000 CA :: 60.9000 CB :: 41.0310 CE1 :: 118.1112 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 :: 8.2730 HA :: 4.6750 HB2 :: 2.6680 HB3 :: 3.0700 HD1 :: 7.1736 HE1 :: 7.0423 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 :: 111.9630 Ave N Shift Values>> N :: 120.52(4.2) 1.L200 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.45 C 0.39 L 0.14 C Shift Assignments>> C :: 177.1390 CA :: 55.2550 CB :: 46.0650 CG :: 28.4000 CD1 :: 25.7000 CD2 :: 25.7000 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 :: 8.4860 HA :: 4.9350 HB2 :: 1.4600 HB3 :: 0.9600 HG :: 1.3300 HD11 :: 1.3520 HD12 :: 1.3520 HD13 :: 1.3520 HD21 :: 1.3520 HD22 :: 1.3520 HD23 :: 1.3520 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 :: 115.3720 Ave N Shift Values>> N :: 121.86(3.9) 1.Y201 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.56 F 0.15 C 0.14 Y 0.12 C Shift Assignments>> C :: 176.2540 CA :: 62.9890 CB :: 40.4330 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.9540 HA :: 4.4500 HB2 :: 3.4128 HB3 :: 3.5400 HD1 :: 7.3400 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 121.5150 Ave N Shift Values>> N :: 120.52(4.2) 1.G202 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.4 P 0.28 A 0.12 C 0.09 N 0.04 L 0.02 D 0.01 C Shift Assignments>> C :: 175.4070 CA :: 48.1330 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.1625 HA2 :: 3.9150 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 :: 106.5600 Ave N Shift Values>> N :: 109.67(3.87) 1.F203 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.53 C 0.37 G 0.08 HN Overlap>> 1.I98 1.I98 C Shift Assignments>> C :: 177.3022 CA :: 61.1240 CB :: 42.5880 CD1 :: 134.0079 CE1 :: 116.7046(S) 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 :: 8.4280 HA :: 3.5260 HB2 :: 3.5280 HB3 :: 2.9220 HD1 :: 6.9700 HE1 :: 6.7210 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 :: 123.2455 Ave N Shift Values>> N :: 120.45(4.18) SRO Rule Breaks>> (HA > HB2 : 0.9952) 1.E204 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.24 C 0.23 W 0.15 E 0.07 K 0.07 H 0.05 R 0.05 Q 0.04 V 0.04 P 0.01 C Shift Assignments>> C :: 179.2027 CA :: 60.9090 CB :: 29.1950 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 :: 9.4200 HA :: 4.2050 HB2 :: 2.2928 HB3 :: 2.7997(S) 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 :: 122.9720 Ave N Shift Values>> N :: 120.67(3.48) 1.E205 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.16 C 0.15 E 0.14 R 0.12 H 0.12 Q 0.1 K 0.07 M 0.04 I 0.03 V 0.02 HN Overlap>> 1.D33 1.D33 C Shift Assignments>> C :: 180.1390 CA :: 58.4000 CB :: 30.0970 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.1700 HA :: 4.1300 HB2 :: 1.9013 HB3 :: 1.9013 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 :: 118.8000 Ave N Shift Values>> N :: 120.67(3.48) 1.Y206 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.45 Y 0.19 C 0.17 F 0.16 C Shift Assignments>> C :: 175.9440 CA :: 61.3200 CB :: 38.6220 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 :: 8.6370 HA :: 4.4200 HB2 :: 3.5591 HD1 :: 6.9688 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 :: 124.2380 Ave N Shift Values>> N :: 120.52(4.2) 1.C207 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.45 I 0.41 C 0.1 HN Overlap>> 1.Y196 1.Y196 C Shift Assignments>> C :: 177.6220 CA :: 65.2000 CB :: 26.0500 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.0440 HA :: 3.5460 HB2 :: 3.1400 HB3 :: 3.0750 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 :: 119.3500 Ave N Shift Values>> N :: 120.17(4.64) 1.R208 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 R 0.38 K 0.1 G 0.04 C Shift Assignments>> C :: 179.4110 CA :: 59.5930 CB :: 30.2210 CG :: 28.1000 CD :: 43.0400 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 :: 8.4130 HA :: 4.2490 HB2 :: 2.1300 HB3 :: 2.1300 HG2 :: 1.8800 HG3 :: 1.6900 HD2 :: 3.3850 HD3 :: 3.3500 HE :: 7.6270 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 :: 118.4713 NE :: 84.5270 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.S209 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.97 T 0.02 C Shift Assignments>> C :: 174.2730 CA :: 60.8750 CB :: 64.8540 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.8670 HA :: 4.3460 HB2 :: 4.0640 HB3 :: 4.0640 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 113.2460 Ave N Shift Values>> N :: 116.28(3.52) 1.A210 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.87 L 0.05 C 0.04 M 0.03 HN Overlap>> 1.K110 1.I175 1.K110 1.I175 C Shift Assignments>> C :: 176.4970 CA :: 52.5110 CB :: 20.5550 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.2200 HA :: 4.3200 HB1 :: 1.1650 HB2 :: 1.1650 HB3 :: 1.1650 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.2300 Ave N Shift Values>> N :: 123.23(3.54) 1.N211 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.35 C 0.18 E 0.11 Y 0.11 F 0.08 M 0.05 D 0.04 L 0.01 I 0.01 C Shift Assignments>> C :: 174.0620 CA :: 54.3250 CB :: 37.3454 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 :: 7.8400 HA :: 4.3700 HB2 :: 2.8300 HB3 :: 3.2620 HD21 :: 7.4900 HD22 :: 6.8850 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 114.9900 ND2 :: 111.4340 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.I212 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.71 C 0.28 C Shift Assignments>> C :: 174.5740 CA :: 62.1990 CB :: 40.1600 CG1 :: 28.3190 CG2 :: 17.8800 CD1 :: 13.5600 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 :: 8.0870 HA :: 4.0100 HB :: 1.3670 HG12 :: 1.6250 HG13 :: 1.1620 HG21 :: 0.8380 HG22 :: 0.8380 HG23 :: 0.8380 HD11 :: 0.9840 HD12 :: 0.9840 HD13 :: 0.9840 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 :: 120.7560 Ave N Shift Values>> N :: 121.46(4.28) 1.Q213 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.55 C 0.3 Q 0.12 E 0.02 HN Overlap>> 1.A195 1.A195 C Shift Assignments>> C :: 174.7278 CA :: 53.4690 CB :: 32.5200 CG :: 33.7700 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 :: 7.9850 HA :: 4.3800 HB2 :: 1.7950 HB3 :: 1.7950 HG2 :: 1.9613 HG3 :: 2.1365 HE21 :: 6.8118 HE22 :: 7.4792 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 124.4410 NE2 :: 111.6989 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.F214 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.R215 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.T216 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> T 0.93 C 0.06 C Shift Assignments>> CA :: 64.8500 CB :: 69.3000 CG2 :: 22.7500 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>> HA :: 4.3200 HB :: 4.4100 HG21 :: 1.3970 HG22 :: 1.3970 HG23 :: 1.3970 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) 1.V217 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.69 C 0.3 C Shift Assignments>> CA :: 62.5938 CB :: 32.4700 CG1 :: 20.9000 CG2 :: 20.8000 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>> HA :: 4.1462 HB :: 2.1600 HG11 :: 0.8412 HG12 :: 0.8412 HG13 :: 0.8412 HG21 :: 0.6927 HG22 :: 0.6927 HG23 :: 0.6927 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) 1.H218 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H219 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H220 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> H 0.14 E 0.14 Q 0.13 W 0.13 R 0.13 C 0.12 K 0.1 M 0.05 I 0.01 C Shift Assignments>> C :: 174.9530 CA :: 56.8030 CB :: 29.7910 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> HA :: 4.3134 HB2 :: 3.2450 HB3 :: 3.2450 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) 1.E221 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.34 M 0.08 K 0.06 Q 0.05 I 0.03 C Shift Assignments>> C :: 176.3070 CA :: 56.9900 CB :: 30.2000 CG :: 36.2820 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 :: 8.8020 HA :: 4.3530 HB2 :: 2.0200 HB3 :: 2.1130 HG2 :: 2.3700 HG3 :: 2.3700 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 :: 122.4063 Ave N Shift Values>> N :: 120.67(3.48) 1.L222 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.63 C 0.28 R 0.04 A 0.01 G 0.01 HN Overlap>> 1.K108 1.K108 C Shift Assignments>> C :: 177.1520 CA :: 55.3800 CB :: 42.4000 CG :: 26.9840 CD1 :: 24.9660 CD2 :: 23.3940 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 :: 8.3930 HA :: 4.3600 HB2 :: 1.6640 HB3 :: 1.5980 HG :: 1.6600 HD11 :: 0.9800 HD12 :: 0.9800 HD13 :: 0.9800 HD21 :: 0.9110 HD22 :: 0.9110 HD23 :: 0.9110 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 :: 122.5680 Ave N Shift Values>> N :: 121.86(3.9) 1.E223 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.34 M 0.11 Q 0.05 K 0.05 I 0.02 C Shift Assignments>> C :: 175.9603 CA :: 56.6200 CB :: 30.3560 CG :: 36.2360 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 :: 8.2731 HA :: 4.2500 HB2 :: 1.9651 HB3 :: 1.9651 HG2 :: 2.2634 HG3 :: 2.2634 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 :: 120.8700 Ave N Shift Values>> N :: 120.67(3.48) 1.H224 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H225 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H226 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H227 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H228 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H229 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable ########################################################################### Overall Results: #Consistent: 218 #Clerical: 0 #Suspicious: 9 #Anomalous: 1 #Mistyped: 1 #Indeterminable: 0 Typing Results: #Consistent: 214 #Suspicious: 1 #Mistyped: 1 #Indeterminable: 13 Shift Relative Order (SRO) Results: #Consistent: 228 #Suspicious: 1 C Shift Results: #Consistent: 904 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 0 H Shift Results: #Consistent:1470 #Duplicate: 0 #Unknown: 0 #Suspicious: 10 #Anomalous: 1 N Shift Results: #Consistent: 225 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.V11 HB = 0.8800(S), Expected = 1.98, Std = 0.3200, ChiSquare = 5.8711e-04 1.P22 HA = 5.9240(S), Expected = 4.40, Std = 0.3300, ChiSquare = 3.8712e-06 1.R119 HA = 2.5900(S), Expected = 4.30, Std = 0.4600, ChiSquare = 2.0129e-04 1.F122 Typing: Suspicious 1.F122 CE1 = 124.3600(S), Expected = 130.71, Std = 1.3000, ChiSquare = 1.0363e-06 1.L126 HB2 = -0.0900(S), Expected = 1.61, Std = 0.3400, ChiSquare = 5.7330e-07 1.D147 HD2 = 4.5750(A), Expected = 5.25, Std = 0.5800, ChiSquare = 2.4451e-01 1.W172 HB2 = 1.3230(S), Expected = 3.19, Std = 0.3500, ChiSquare = 9.5921e-08 1.W172 HB3 = 1.3230(S), Expected = 3.12, Std = 0.3600, ChiSquare = 5.9860e-07 1.K193 HB2 = 0.7051(S), Expected = 1.78, Std = 0.2500, ChiSquare = 1.7111e-05 1.K193 HB3 = 0.2408(S), Expected = 1.74, Std = 0.2700, ChiSquare = 2.8146e-08 1.K198 HG3 = 0.3780(S), Expected = 1.35, Std = 0.2800, ChiSquare = 5.1770e-04 1.F203 Typing: Mistyped 1.F203 CE1 = 116.7046(S), Expected = 130.71, Std = 1.3000, ChiSquare = 4.5978e-27 1.F203 SRO Rule Break>> HA > HB2 : 0.995201919232307 1.E204 HB3 = 2.7997(S), Expected = 1.99, Std = 0.2300, ChiSquare = 4.3084e-04