Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.S1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.N2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.51 D 0.18 C 0.09 F 0.07 Y 0.07 L 0.05 C Shift Assignments>> C :: 174.7090 CA :: 53.1750 CB :: 38.8670 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 :: 4.7610 HB2 :: 2.8580 HB3 :: 2.7560 HD21 :: 7.6500 HD22 :: 6.9600 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 :: 113.0400 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.86 M 0.11 C 0.01 C Shift Assignments>> C :: 177.4700 CA :: 52.6630 CB :: 19.1510 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.3860 HA :: 4.3240 HB1 :: 1.3540 HB2 :: 1.3540 HB3 :: 1.3540 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.7540 Ave N Shift Values>> N :: 123.23(3.54) 1.I4 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 :: 176.1780 CA :: 61.1800 CB :: 38.3340 CG1 :: 27.4050 CG2 :: 17.5940 CD1 :: 12.8730 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 :: 8.1480 HA :: 4.1130 HB :: 1.8570 HG12 :: 1.1850 HG13 :: 1.4800 HG21 :: 0.8890 HG22 :: 0.8890 HG23 :: 0.8890 HD11 :: 0.8600 HD12 :: 0.8600 HD13 :: 0.8600 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 :: 120.2920 Ave N Shift Values>> N :: 121.46(4.28) 1.L5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.62 C 0.28 R 0.05 A 0.02 G 0.01 C Shift Assignments>> C :: 176.9630 CA :: 55.1470 CB :: 42.2870 CG :: 26.9970 CD1 :: 23.3350 CD2 :: 25.1660 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 :: 8.2440 HA :: 4.3830 HB2 :: 1.6330 HB3 :: 1.6330 HG :: 1.6390 HD11 :: 0.8620 HD12 :: 0.8620 HD13 :: 0.8620 HD21 :: 0.9280 HD22 :: 0.9280 HD23 :: 0.9280 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 :: 126.2950 Ave N Shift Values>> N :: 121.86(3.9) 1.A6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.87 M 0.09 C 0.01 HN Overlap>> 1.L140 1.L140 C Shift Assignments>> C :: 177.8100 CA :: 52.6040 CB :: 19.2790 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.2920 HA :: 4.3750 HB1 :: 1.4100 HB2 :: 1.4100 HB3 :: 1.4100 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.8230 Ave N Shift Values>> N :: 123.23(3.54) 1.T7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.89 C 0.1 C Shift Assignments>> C :: 174.5080 CA :: 61.7420 CB :: 69.8040 CG2 :: 21.7440 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 :: 8.0090 HA :: 4.3260 HB :: 4.2480 HG21 :: 1.2080 HG22 :: 1.2080 HG23 :: 1.2080 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 112.3800 Ave N Shift Values>> N :: 115.42(4.75) 1.M8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.25 K 0.21 Q 0.19 C 0.18 R 0.1 E 0.03 V 0.01 HN Overlap>> 1.E136 1.E136 C Shift Assignments>> C :: 175.5640 CA :: 55.5010 CB :: 33.0450 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 :: 8.2740 HA :: 4.5290 HB2 :: 2.0020 HB3 :: 2.0890 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 122.0580 Ave N Shift Values>> N :: 120.09(3.57) 1.N9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.47 D 0.19 C 0.09 F 0.08 Y 0.07 L 0.05 C Shift Assignments>> C :: 174.5050 CA :: 53.3760 CB :: 38.9730 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 :: 8.4630 HA :: 4.7230 HB2 :: 2.7500 HB3 :: 2.7500 HD21 :: 6.9030 HD22 :: 7.5910 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 :: 120.1730 ND2 :: 112.8600 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 V 0.47 HN Overlap>> 1.A110 1.A110 C Shift Assignments>> C :: 174.2370 CA :: 59.8090 CB :: 32.6420 CG1 :: 20.4600 CG2 :: 21.0860 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 :: 8.1240 HA :: 4.4270 HB :: 2.0790 HG11 :: 0.9120 HG12 :: 0.9120 HG13 :: 0.9120 HG21 :: 0.9630 HG22 :: 0.9630 HG23 :: 0.9630 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 :: 121.6490 Ave N Shift Values>> N :: 121.14(4.54) 1.P11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.73 C 0.26 C Shift Assignments>> C :: 176.4290 CA :: 63.1290 CB :: 32.0990 CG :: 27.4530 CD :: 50.7460 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 :: 4.4110 HB2 :: 1.9230 HB3 :: 2.2920 HG2 :: 2.0110 HG3 :: 2.0110 HD2 :: 3.6640 HD3 :: 3.6640 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.A12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.89 M 0.07 C 0.01 HN Overlap>> 1.A32 1.A32 C Shift Assignments>> C :: 177.8840 CA :: 52.2580 CB :: 19.4340 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.4160 HA :: 4.3640 HB1 :: 1.4250 HB2 :: 1.4250 HB3 :: 1.4250 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.5260 Ave N Shift Values>> N :: 123.23(3.54) 1.G13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.53 L 0.23 R 0.11 C 0.04 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 171.8550 CA :: 44.5420 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.2070 HA2 :: 4.0520 HA3 :: 4.1390 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.1680 Ave N Shift Values>> N :: 109.67(3.87) 1.P14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.74 C 0.25 C Shift Assignments>> C :: 177.1760 CA :: 63.1970 CB :: 32.0860 CG :: 27.4090 CD :: 49.9540 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 :: 4.4240 HB2 :: 1.9490 HB3 :: 2.2890 HG2 :: 2.0040 HG3 :: 2.0040 HD2 :: 3.6260 HD3 :: 3.6260 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.A15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.85 M 0.12 C 0.01 C Shift Assignments>> C :: 178.3880 CA :: 52.6840 CB :: 19.0330 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.5190 HA :: 4.3500 HB1 :: 1.4120 HB2 :: 1.4120 HB3 :: 1.4120 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.4130 Ave N Shift Values>> N :: 123.23(3.54) 1.G16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.08 C 0.02 R 0.01 C Shift Assignments>> C :: 174.7530 CA :: 45.3740 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.3790 HA2 :: 3.9790 HA3 :: 3.9790 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.G17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 L 0.11 C 0.03 R 0.01 F 0.01 C Shift Assignments>> C :: 174.0650 CA :: 45.1730 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.2480 HA2 :: 3.9790 HA3 :: 3.9790 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.4800 Ave N Shift Values>> N :: 109.67(3.87) 1.Q18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.31 K 0.27 C 0.23 E 0.08 M 0.05 R 0.03 C Shift Assignments>> C :: 175.8340 CA :: 55.8150 CB :: 29.3300 CG :: 33.9190 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 :: 8.3120 HA :: 4.3400 HB2 :: 1.9710 HB3 :: 2.0830 HG2 :: 2.3450 HG3 :: 2.3450 HE21 :: 6.8800 HE22 :: 7.5900 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 :: 119.6880 NE2 :: 112.6700 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.31 K 0.25 C 0.23 E 0.08 M 0.08 R 0.01 C Shift Assignments>> C :: 175.7850 CA :: 55.8050 CB :: 29.6200 CG :: 33.9380 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 :: 8.5230 HA :: 4.3750 HB2 :: 1.9750 HB3 :: 2.0800 HG2 :: 2.3430 HG3 :: 2.3430 HE21 :: 6.8800 HE22 :: 7.5900 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 122.0170 NE2 :: 112.6700 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.V20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.67 C 0.32 HN Overlap>> 1.F111 1.F111 C Shift Assignments>> C :: 175.0860 CA :: 62.3070 CB :: 33.2160 CG1 :: 21.2320 CG2 :: 21.2030 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 :: 8.3480 HA :: 4.0180 HB :: 1.9750 HG11 :: 0.8170 HG12 :: 0.8170 HG13 :: 0.8170 HG21 :: 0.8880 HG22 :: 0.8880 HG23 :: 0.8880 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 :: 122.3510 Ave N Shift Values>> N :: 121.14(4.54) 1.D21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.36 N 0.2 L 0.18 F 0.07 C 0.05 Y 0.05 K 0.05 C Shift Assignments>> C :: 177.3810 CA :: 53.3020 CB :: 40.8550 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 :: 8.5440 HA :: 4.7260 HB2 :: 2.6560 HB3 :: 2.8000 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 :: 125.2830 Ave N Shift Values>> N :: 120.65(3.86) 1.L22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.38 R 0.02 G 0.01 C Shift Assignments>> C :: 178.2650 CA :: 57.5900 CB :: 42.1480 CG :: 26.9260 CD1 :: 24.1220 CD2 :: 24.8450 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 :: 8.7870 HA :: 4.0660 HB2 :: 1.7690 HB3 :: 1.6220 HG :: 1.7760 HD11 :: 0.8900 HD12 :: 0.8900 HD13 :: 0.8900 HD21 :: 0.9790 HD22 :: 0.9790 HD23 :: 0.9790 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 :: 126.5310 Ave N Shift Values>> N :: 121.86(3.9) 1.A23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.57 M 0.38 C 0.01 I 0.01 C Shift Assignments>> C :: 178.1420 CA :: 54.1240 CB :: 18.1560 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.5130 HA :: 4.1940 HB1 :: 1.5140 HB2 :: 1.5140 HB3 :: 1.5140 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.4520 Ave N Shift Values>> N :: 123.23(3.54) 1.S24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.2860 CA :: 60.1010 CB :: 63.6380 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.7600 HA :: 4.3390 HB2 :: 3.9660 HB3 :: 3.9660 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 :: 111.0630 Ave N Shift Values>> N :: 116.28(3.52) 1.V25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.69 C 0.3 C Shift Assignments>> C :: 175.1460 CA :: 62.7870 CB :: 34.1830 CG1 :: 20.5630 CG2 :: 21.5850 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 :: 7.3130 HA :: 4.3260 HB :: 1.9560 HG11 :: 0.9170 HG12 :: 0.9170 HG13 :: 0.9170 HG21 :: 0.9170 HG22 :: 0.9170 HG23 :: 0.9170 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 :: 117.0270 Ave N Shift Values>> N :: 121.14(4.54) 1.L26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.25 A 0.15 C Shift Assignments>> C :: 173.8200 CA :: 52.8060 CB :: 39.5430 CG :: 26.6330 CD1 :: 26.3060 CD2 :: 22.9550 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 :: 8.3340 HA :: 4.4630 HB2 :: 1.3330 HB3 :: 1.9770 HG :: 1.8260 HD11 :: 1.0990 HD12 :: 1.0990 HD13 :: 1.0990 HD21 :: 0.8950 HD22 :: 0.8950 HD23 :: 0.8950 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 :: 121.6540 Ave N Shift Values>> N :: 121.86(3.9) 1.T27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.68 C 0.3 C Shift Assignments>> C :: 173.9670 CA :: 59.3630 CB :: 68.5580 CG2 :: 22.3700 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 :: 6.6170 HA :: 4.6330 HB :: 4.6330 HG21 :: 1.2090 HG22 :: 1.2090 HG23 :: 1.2090 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 :: 108.9910 Ave N Shift Values>> N :: 115.42(4.75) 1.P28 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.88 C 0.11 C Shift Assignments>> C :: 177.5340 CA :: 66.1070 CB :: 31.6980 CG :: 27.0300 CD :: 50.3400 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 :: 3.7160 HB2 :: 1.8310 HB3 :: 1.6610 HG2 :: 0.3210(S) HG3 :: 1.7330 HD2 :: 3.4300 HD3 :: 3.6470 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.E29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 I 0.28 E 0.27 K 0.03 Q 0.01 C Shift Assignments>> C :: 178.6090 CA :: 59.8480 CB :: 29.1370 CG :: 36.7800 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 :: 8.3300 HA :: 3.8480 HB2 :: 1.8580 HB3 :: 1.9940 HG2 :: 2.2470 HG3 :: 2.2010 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 114.5050 Ave N Shift Values>> N :: 120.67(3.48) 1.I30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.76 C 0.23 C Shift Assignments>> C :: 177.2090 CA :: 63.2370 CB :: 38.6960 CG1 :: 29.1940 CG2 :: 16.9060 CD1 :: 13.2110 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 :: 7.2570 HA :: 3.8180 HB :: 1.7920 HG12 :: 1.1810 HG13 :: 1.5940 HG21 :: 0.7950 HG22 :: 0.7950 HG23 :: 0.7950 HD11 :: 0.9580 HD12 :: 0.9580 HD13 :: 0.9580 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 118.6150 Ave N Shift Values>> N :: 121.46(4.28) 1.M31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.5 M 0.26 C 0.23 C Shift Assignments>> C :: 178.5840 CA :: 53.8010 CB :: 30.6200 CG :: 33.2000 CE :: 18.2700 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 :: 8.2060 HA :: 4.5340 HB2 :: 1.9950 HB3 :: 1.7510 HG2 :: 2.3220 HG3 :: 2.3220 HE1 :: 1.7800 HE2 :: 1.7800 HE3 :: 1.7800 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 :: 111.8990 Ave N Shift Values>> N :: 120.09(3.57) 1.A32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.71 I 0.24 C 0.02 A 0.01 HN Overlap>> 1.A12 1.A12 C Shift Assignments>> C :: 175.1740 CA :: 57.9020 CB :: 15.9090 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.4160 HA :: 4.0920 HB1 :: 1.5890 HB2 :: 1.5890 HB3 :: 1.5890 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.5260 Ave N Shift Values>> N :: 123.23(3.54) 1.P33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.83 C 0.16 C Shift Assignments>> C :: 178.0020 CA :: 65.3000 CB :: 31.2020 CG :: 28.2500 CD :: 50.0700 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 :: 4.2930 HB2 :: 2.4290 HB3 :: 1.8520 HG2 :: 2.0240 HG3 :: 2.0240 HD2 :: 3.5700 HD3 :: 3.7210 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.I34 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.86 C 0.13 C Shift Assignments>> C :: 176.9140 CA :: 64.2310 CB :: 38.6380 CG1 :: 27.7470 CG2 :: 17.5640 CD1 :: 13.3020 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 :: 6.4260 HA :: 3.0980 HB :: 1.5560 HG12 :: -0.3210(S) HG13 :: 1.2000 HG21 :: 0.4830 HG22 :: 0.4830 HG23 :: 0.4830 HD11 :: 0.7230 HD12 :: 0.7230 HD13 :: 0.7230 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 :: 116.0070 Ave N Shift Values>> N :: 121.46(4.28) 1.L35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.47 C 0.39 R 0.06 A 0.05 G 0.01 C Shift Assignments>> C :: 176.8650 CA :: 56.1520 CB :: 42.0460 CG :: 26.5200 CD1 :: 22.2400 CD2 :: 25.8800 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 :: 8.1350 HA :: 3.9080 HB2 :: 1.6610 HB3 :: 1.3340 HG :: 1.5560 HD11 :: 0.5870 HD12 :: 0.5870 HD13 :: 0.5870 HD21 :: 0.6320 HD22 :: 0.6320 HD23 :: 0.6320 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 :: 113.8510 Ave N Shift Values>> N :: 121.86(3.9) 1.A36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.88 M 0.09 C 0.01 C Shift Assignments>> C :: 176.4970 CA :: 52.3080 CB :: 19.1140 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.3400 HA :: 4.0100 HB1 :: 1.2800 HB2 :: 1.2800 HB3 :: 1.2800 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 115.5310 Ave N Shift Values>> N :: 123.23(3.54) 1.N37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.19 N 0.13 F 0.11 Y 0.09 C 0.06 K 0.06 C Shift Assignments>> C :: 175.6130 CA :: 54.5640 CB :: 40.7400 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 :: 7.2080 HA :: 4.5940 HB2 :: 3.1760 HB3 :: 3.1760 HD21 :: 7.5660 HD22 :: 8.1930 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 :: 119.1350 ND2 :: 115.0000 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.47 A 0.39 C 0.05 I 0.05 V 0.01 C Shift Assignments>> C :: 179.7140 CA :: 55.7210 CB :: 18.8790 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.1690 HA :: 3.9890 HB1 :: 1.5200 HB2 :: 1.5200 HB3 :: 1.5200 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 130.1940 Ave N Shift Values>> N :: 123.23(3.54) 1.D39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.27 Y 0.24 L 0.11 C 0.11 D 0.09 K 0.07 I 0.06 N 0.01 HN Overlap>> 1.N118 1.N118 C Shift Assignments>> C :: 179.2230 CA :: 57.6180 CB :: 40.5360 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 :: 7.8750 HA :: 4.5290 HB2 :: 3.0880 HB3 :: 2.6690 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 :: 118.4290 Ave N Shift Values>> N :: 120.65(3.86) 1.V40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.91 C 0.08 HN Overlap>> 1.Q123 1.Q123 C Shift Assignments>> C :: 178.5600 CA :: 67.1100 CB :: 31.5500 CG1 :: 23.2000 CG2 :: 21.0000 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 :: 8.5530 HA :: 3.4000 HB :: 2.6830 HG11 :: 1.1730 HG12 :: 1.1730 HG13 :: 1.1730 HG21 :: 0.8550 HG22 :: 0.8550 HG23 :: 0.8550 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 :: 122.4870 Ave N Shift Values>> N :: 121.14(4.54) 1.Q41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 I 0.21 Q 0.06 P 0.04 K 0.04 E 0.03 R 0.03 C Shift Assignments>> C :: 178.6090 CA :: 61.2200 CB :: 26.8510 CG :: 34.6400 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 :: 8.6820 HA :: 3.6790 HB2 :: 2.1040 HB3 :: 2.1040 HG2 :: 2.8560 HG3 :: 2.2910 HE21 :: 6.8250 HE22 :: 8.0720 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 :: 117.3460 NE2 :: 110.5500 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 E 0.33 I 0.17 K 0.05 Q 0.02 M 0.01 C Shift Assignments>> C :: 178.6830 CA :: 59.6530 CB :: 29.6680 CG :: 36.3900 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 :: 7.7460 HA :: 4.0580 HB2 :: 2.2050 HB3 :: 2.2510 HG2 :: 2.4670 HG3 :: 2.4670 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 :: 117.4370 Ave N Shift Values>> N :: 120.67(3.48) 1.R43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.48 C 0.38 K 0.06 G 0.05 C Shift Assignments>> C :: 176.8900 CA :: 56.5700 CB :: 30.0470 CG :: 27.4800 CD :: 43.2700 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.4310 HA :: 4.2260 HB2 :: 1.8700 HB3 :: 1.9490 HG2 :: 1.7200 HG3 :: 1.8900 HD2 :: 3.1690 HD3 :: 3.1690 HE :: 7.4040 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 :: 115.1230 NE :: 84.7900 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.L44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.61 C 0.34 R 0.03 A 0.01 C Shift Assignments>> C :: 177.5280 CA :: 56.1330 CB :: 41.7130 CG :: 26.5700 CD1 :: 23.4000 CD2 :: 25.5800 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 :: 7.8380 HA :: 4.4420 HB2 :: 1.9360 HB3 :: 1.6610 HG :: 2.0400 HD11 :: 0.6730 HD12 :: 0.6730 HD13 :: 0.6730 HD21 :: 0.8380 HD22 :: 0.8380 HD23 :: 0.8380 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 :: 117.2350 Ave N Shift Values>> N :: 121.86(3.9) 1.L45 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 :: 175.9560 CA :: 59.5610 CB :: 40.0810 CG :: 26.7000 CD1 :: 24.8000 CD2 :: 23.8300 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 :: 7.3710 HA :: 4.1110 HB2 :: 1.6130 HB3 :: 1.8790 HG :: 1.9160 HD11 :: 1.0030 HD12 :: 1.0030 HD13 :: 1.0030 HD21 :: 0.9140 HD22 :: 0.9140 HD23 :: 0.9140 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 :: 118.9290 Ave N Shift Values>> N :: 121.86(3.9) 1.P46 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.81 C 0.18 C Shift Assignments>> C :: 176.5300 CA :: 65.0550 CB :: 30.8850 CG :: 28.0000 CD :: 51.0240 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 :: 4.2180 HB2 :: 0.7020(S) HB3 :: 2.0670 HG2 :: 1.7790 HG3 :: 1.8080 HD2 :: 3.6300 HD3 :: 3.2700 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.Y47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.62 C 0.37 C Shift Assignments>> C :: 174.9740 CA :: 57.2840 CB :: 38.2880 CD1 :: 133.1400 CD2 :: 133.1400 CE1 :: 117.6500 CE2 :: 117.6500 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 :: 7.9010 HA :: 4.4030 HB2 :: 3.3950 HB3 :: 2.7890 HD1 :: 7.1540 HD2 :: 7.1540 HE1 :: 6.7650 HE2 :: 6.7650 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 :: 114.4510 Ave N Shift Values>> N :: 120.52(4.2) 1.L48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.6 C 0.18 G 0.17 R 0.03 C Shift Assignments>> C :: 175.0970 CA :: 53.3500 CB :: 43.5760 CG :: 26.1340 CD1 :: 25.7900 CD2 :: 25.7900 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 :: 7.5240 HA :: 4.6430 HB2 :: 1.8200 HB3 :: 1.5200 HG :: 1.6560 HD11 :: 0.8420 HD12 :: 0.8420 HD13 :: 0.8420 HD21 :: 0.8420 HD22 :: 0.8420 HD23 :: 0.8420 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 :: 124.2900 Ave N Shift Values>> N :: 121.86(3.9) 1.P49 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 :: 176.3510 CA :: 62.6690 CB :: 32.1530 CG :: 27.5300 CD :: 50.9400 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 :: 4.4120 HB2 :: 1.7370 HB3 :: 2.3720 HG2 :: 1.9470 HG3 :: 1.8220 HD2 :: 3.4310 HD3 :: 3.4310 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.S50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.0300 CA :: 59.7440 CB :: 63.2010 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.3880 HA :: 4.2000 HB2 :: 3.8620 HB3 :: 3.8620 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 :: 115.9060 Ave N Shift Values>> N :: 116.28(3.52) 1.G51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.09 C 0.02 R 0.01 C Shift Assignments>> C :: 174.1390 CA :: 45.3540 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.7520 HA2 :: 4.2290 HA3 :: 3.7470 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.8820 Ave N Shift Values>> N :: 109.67(3.87) 1.E52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.21 M 0.18 C 0.17 E 0.14 Q 0.13 K 0.12 C Shift Assignments>> C :: 175.1710 CA :: 55.3870 CB :: 31.0700 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 :: 7.7780 HA :: 4.5800 HB2 :: 2.1290 HB3 :: 1.9040 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 :: 119.7960 Ave N Shift Values>> N :: 120.67(3.48) 1.S53 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 :: 173.4510 CA :: 57.5530 CB :: 65.5580 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.4760 HA :: 4.6900 HB2 :: 3.7260 HB3 :: 3.7970 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 :: 114.0560 Ave N Shift Values>> N :: 116.28(3.52) 1.L54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.71 C 0.16 R 0.04 G 0.04 A 0.03 C Shift Assignments>> C :: 174.9990 CA :: 52.5250 CB :: 42.5760 CG :: 26.5700 CD1 :: 23.8900 CD2 :: 25.8940 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 :: 8.6400 HA :: 4.6880 HB2 :: 1.5030 HB3 :: 1.5030 HG :: 1.6660 HD11 :: 0.8970 HD12 :: 0.8970 HD13 :: 0.8970 HD21 :: 0.9060 HD22 :: 0.9060 HD23 :: 0.9060 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 :: 123.5760 Ave N Shift Values>> N :: 121.86(3.9) 1.P55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.68 C 0.31 C Shift Assignments>> C :: 175.7710 CA :: 62.6000 CB :: 32.2880 CG :: 27.7400 CD :: 50.2200 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 :: 4.5160 HB2 :: 1.7330 HB3 :: 2.2980 HG2 :: 1.8310 HG3 :: 1.8310 HD2 :: 3.9400 HD3 :: 3.4320 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.Q56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 M 0.24 E 0.22 Q 0.18 K 0.04 C Shift Assignments>> C :: 176.3250 CA :: 56.6370 CB :: 31.1290 CG :: 34.8840 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 :: 8.7200 HA :: 4.4590 HB2 :: 2.3010 HB3 :: 2.0430 HG2 :: 2.4210 HG3 :: 2.4510 HE21 :: 6.9320 HE22 :: 7.5880 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 :: 117.0060 NE2 :: 113.3600 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.T57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.64 C 0.35 C Shift Assignments>> C :: 174.4090 CA :: 59.6810 CB :: 72.0750 CG2 :: 22.0000 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 :: 7.5150 HA :: 4.7350 HB :: 4.5100 HG21 :: 1.2340 HG22 :: 1.2340 HG23 :: 1.2340 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 :: 107.2550 Ave N Shift Values>> N :: 115.42(4.75) 1.A58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.54 A 0.4 I 0.02 C 0.02 C Shift Assignments>> C :: 179.3460 CA :: 54.8530 CB :: 17.8360 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.9760 HA :: 3.9510 HB1 :: 1.3520 HB2 :: 1.3520 HB3 :: 1.3520 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.3310 Ave N Shift Values>> N :: 123.23(3.54) 1.D59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.21 Y 0.17 L 0.16 K 0.15 D 0.12 C 0.09 I 0.03 N 0.01 R 0.01 C Shift Assignments>> C :: 177.9210 CA :: 57.1330 CB :: 41.0490 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 :: 8.4840 HA :: 4.3150 HB2 :: 2.6180 HB3 :: 2.6180 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 :: 116.8790 Ave N Shift Values>> N :: 120.65(3.86) 1.E60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 E 0.34 I 0.09 M 0.05 K 0.01 C Shift Assignments>> C :: 179.5670 CA :: 58.7370 CB :: 30.7330 CG :: 37.2600 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 :: 7.7370 HA :: 4.1460 HB2 :: 2.0170 HB3 :: 2.1510 HG2 :: 2.2200 HG3 :: 2.2900 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 :: 118.1570 Ave N Shift Values>> N :: 120.67(3.48) 1.I61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.81 C 0.18 C Shift Assignments>> C :: 175.9070 CA :: 64.3500 CB :: 37.2630 CG1 :: 29.4160 CG2 :: 17.2970 CD1 :: 13.0870 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 :: 7.9480 HA :: 3.6540 HB :: 2.0190 HG12 :: 1.6950 HG13 :: 1.0180 HG21 :: 0.8920 HG22 :: 0.8920 HG23 :: 0.8920 HD11 :: 0.7230 HD12 :: 0.7230 HD13 :: 0.7230 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 :: 120.9880 Ave N Shift Values>> N :: 121.46(4.28) 1.Q62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 Q 0.25 K 0.23 E 0.14 M 0.02 I 0.02 R 0.01 HN Overlap>> 1.C91 1.C91 C Shift Assignments>> C :: 177.1350 CA :: 58.4410 CB :: 29.2410 CG :: 34.3500 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 :: 8.0620 HA :: 3.8860 HB2 :: 1.9770 HB3 :: 1.9770 HG2 :: 2.1660 HG3 :: 2.1660 HE21 :: 6.8410 HE22 :: 7.3820 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 116.3210 NE2 :: 111.0000 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.N63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 N 0.17 L 0.15 F 0.13 Y 0.11 C 0.07 K 0.02 C Shift Assignments>> C :: 176.4230 CA :: 54.7260 CB :: 40.2310 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 :: 8.1570 HA :: 4.8370 HB2 :: 2.8190 HB3 :: 2.8190 HD21 :: 6.9240 HD22 :: 7.6060 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 113.5300 ND2 :: 114.2800 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.T64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.94 C 0.05 C Shift Assignments>> C :: 174.9000 CA :: 63.6560 CB :: 70.0690 CG2 :: 21.7400 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 :: 8.0520 HA :: 4.4680 HB :: 4.3420 HG21 :: 1.2030 HG22 :: 1.2030 HG23 :: 1.2030 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 112.8280 Ave N Shift Values>> N :: 115.42(4.75) 1.L65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.62 C 0.29 R 0.04 A 0.01 C Shift Assignments>> C :: 177.9700 CA :: 55.7580 CB :: 41.9710 CG :: 26.6800 CD1 :: 25.7000 CD2 :: 23.3000 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 :: 7.6580 HA :: 4.4520 HB2 :: 1.6160 HB3 :: 1.9040 HG :: 1.9340 HD11 :: 0.9200 HD12 :: 0.9200 HD13 :: 0.9200 HD21 :: 0.8220 HD22 :: 0.8220 HD23 :: 0.8220 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 :: 121.1630 Ave N Shift Values>> N :: 121.86(3.9) 1.T66 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S67 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P68 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 :: 179.6970 CA :: 65.7860 CB :: 31.3350 CG :: 28.4370 CD :: 50.1180 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 :: 4.2710 HB2 :: 1.8480 HB3 :: 2.4110 HG2 :: 2.1480 HG3 :: 2.1480 HD2 :: 3.6300 HD3 :: 3.9500 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.Q69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 Q 0.23 K 0.22 E 0.15 I 0.03 M 0.02 R 0.01 C Shift Assignments>> C :: 179.1210 CA :: 58.5980 CB :: 29.1590 CG :: 34.4500 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 :: 7.5670 HA :: 4.1950 HB2 :: 2.4180 HB3 :: 2.0700 HG2 :: 2.4700 HG3 :: 2.4700 HE21 :: 6.8340 HE22 :: 7.6590 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 :: 117.1540 NE2 :: 111.3500 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.F70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.46 Y 0.32 C 0.21 C Shift Assignments>> C :: 176.8160 CA :: 61.8730 CB :: 38.7650 CD1 :: 131.5500 CD2 :: 131.5500 CE1 :: 131.5500 CE2 :: 131.5500 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 :: 8.9520 HA :: 4.1640 HB2 :: 3.3390 HB3 :: 3.1970 HD1 :: 7.1580 HD2 :: 7.1580 HE1 :: 7.1580 HE2 :: 7.1580 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 :: 123.3990 Ave N Shift Values>> N :: 120.45(4.18) 1.Q71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 Q 0.21 K 0.16 R 0.07 E 0.07 I 0.06 HN Overlap>> 1.S139 1.S139 C Shift Assignments>> C :: 179.4440 CA :: 59.2890 CB :: 27.7360 CG :: 34.2180 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 :: 8.5480 HA :: 3.7080 HB2 :: 2.1800 HB3 :: 2.1800 HG2 :: 2.4510 HG3 :: 2.5510 HE21 :: 6.9250 HE22 :: 7.5260 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 :: 117.5430 NE2 :: 112.1100 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 Q 0.22 K 0.22 E 0.12 I 0.05 R 0.03 C Shift Assignments>> C :: 178.8300 CA :: 59.1170 CB :: 28.6080 CG :: 34.4000 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 :: 7.9240 HA :: 4.1460 HB2 :: 2.2300 HB3 :: 2.2300 HG2 :: 2.4400 HG3 :: 2.4400 HE21 :: 7.0490 HE22 :: 7.6530 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 :: 119.8550 NE2 :: 111.6300 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.73 A 0.2 I 0.04 C 0.01 C Shift Assignments>> C :: 179.6160 CA :: 55.3710 CB :: 16.8310 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.9470 HA :: 4.1520 HB1 :: 1.3360 HB2 :: 1.3360 HB3 :: 1.3360 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.0520 Ave N Shift Values>> N :: 123.23(3.54) 1.L74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.62 C 0.36 C Shift Assignments>> C :: 179.7390 CA :: 57.3290 CB :: 41.2860 CG :: 25.8400 CD1 :: 25.1770 CD2 :: 23.7840 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 :: 8.4140 HA :: 3.8330 HB2 :: 1.3490 HB3 :: 1.4690 HG :: 1.1810 HD11 :: 0.7060 HD12 :: 0.7060 HD13 :: 0.7060 HD21 :: 0.6140 HD22 :: 0.6140 HD23 :: 0.6140 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 :: 117.9500 Ave N Shift Values>> N :: 121.86(3.9) 1.G75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 C 0.06 L 0.04 A 0.01 C Shift Assignments>> C :: 176.9390 CA :: 47.1080 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.1310 HA2 :: 3.8680 HA3 :: 4.0020 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.8740 Ave N Shift Values>> N :: 109.67(3.87) 1.M76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 M 0.4 I 0.01 C Shift Assignments>> C :: 176.8900 CA :: 59.2400 CB :: 33.7730 CG :: 31.5700 CE :: 17.5800 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 :: 7.7850 HA :: 4.0090 HB2 :: 2.0300 HB3 :: 2.3570 HG2 :: 2.7200 HG3 :: 2.5700 HE1 :: 2.0510 HE2 :: 2.0510 HE3 :: 2.0510 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 122.5490 Ave N Shift Values>> N :: 120.09(3.57) 1.F77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.72 C 0.27 C Shift Assignments>> C :: 175.8830 CA :: 61.7560 CB :: 39.1190 CD1 :: 131.0700 CD2 :: 131.0700 CE1 :: 131.1400 CE2 :: 131.1400 CZ :: 128.9000 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 :: 8.4150 HA :: 3.7480 HB2 :: 3.1660 HB3 :: 2.8190 HD1 :: 6.7380 HD2 :: 6.7380 HE1 :: 6.8150 HE2 :: 6.8150 HZ :: 6.6730 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 :: 118.8310 Ave N Shift Values>> N :: 120.45(4.18) 1.S78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.6370 CA :: 61.6850 CB :: 62.9080 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.7890 HA :: 3.6070 HB2 :: 3.9410 HB3 :: 3.9410 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 :: 114.4460 Ave N Shift Values>> N :: 116.28(3.52) 1.A79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.62 A 0.32 I 0.03 C 0.01 C Shift Assignments>> C :: 180.0820 CA :: 54.8470 CB :: 17.3050 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 :: 3.8800 HB1 :: 0.9450 HB2 :: 0.9450 HB3 :: 0.9450 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.8560 Ave N Shift Values>> N :: 123.23(3.54) 1.A80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.53 M 0.42 C 0.02 I 0.01 C Shift Assignments>> C :: 180.6960 CA :: 54.3750 CB :: 18.1520 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.6150 HA :: 3.8890 HB1 :: 1.1230 HB2 :: 1.1230 HB3 :: 1.1230 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.7790 Ave N Shift Values>> N :: 123.23(3.54) 1.L81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.39 R 0.01 C Shift Assignments>> C :: 180.9420 CA :: 57.2630 CB :: 41.3130 CG :: 27.0100 CD1 :: 25.1300 CD2 :: 24.7900 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 :: 8.7740 HA :: 3.6520 HB2 :: 0.7720 HB3 :: 1.4150 HG :: 1.0640 HD11 :: 0.2640 HD12 :: 0.2640 HD13 :: 0.2640 HD21 :: 0.2040 HD22 :: 0.2040 HD23 :: 0.2040 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 :: 122.3790 Ave N Shift Values>> N :: 121.86(3.9) 1.A82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.58 M 0.38 C 0.01 I 0.01 C Shift Assignments>> C :: 178.0440 CA :: 54.0890 CB :: 18.1520 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.2440 HA :: 4.3290 HB1 :: 1.4820 HB2 :: 1.4820 HB3 :: 1.4820 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.2120 Ave N Shift Values>> N :: 123.23(3.54) 1.S83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 175.7600 CA :: 59.8270 CB :: 64.8360 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.3750 HA :: 4.4470 HB2 :: 4.1010 HB3 :: 4.2090 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 :: 110.5180 Ave N Shift Values>> N :: 116.28(3.52) 1.G84 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 :: 176.3740 CA :: 46.0590 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.8200 HA2 :: 4.4390 HA3 :: 3.8220 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.0850 Ave N Shift Values>> N :: 109.67(3.87) 1.Q85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.27 C 0.26 K 0.22 E 0.14 M 0.06 R 0.01 C Shift Assignments>> C :: 176.6930 CA :: 57.1230 CB :: 29.6270 CG :: 34.3130 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 :: 7.8790 HA :: 4.2370 HB2 :: 2.3300 HB3 :: 1.8660 HG2 :: 2.4530 HG3 :: 2.4530 HE21 :: 6.9350 HE22 :: 7.5820 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 116.2210 NE2 :: 112.7500 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 C 0.29 R 0.14 A 0.02 G 0.01 HN Overlap>> 1.T128 1.T128 C Shift Assignments>> C :: 177.8550 CA :: 54.5670 CB :: 42.2060 CG :: 26.9400 CD1 :: 23.6400 CD2 :: 26.9400 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 :: 8.1930 HA :: 4.4360 HB2 :: 1.6700 HB3 :: 1.4560 HG :: 1.2140 HD11 :: 0.6640 HD12 :: 0.6640 HD13 :: 0.6640 HD21 :: 0.3510 HD22 :: 0.3510 HD23 :: 0.3510 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 :: 114.6340 Ave N Shift Values>> N :: 121.86(3.9) 1.G87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.74 A 0.12 N 0.05 D 0.01 C 0.01 C Shift Assignments>> C :: 173.7460 CA :: 49.3210 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.6740 HA2 :: 4.2590 HA3 :: 3.4070 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.3320 Ave N Shift Values>> N :: 109.67(3.87) 1.P88 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 :: 177.8010 CA :: 64.8420 CB :: 32.1880 CG :: 28.0700 CD :: 51.0800 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 :: 4.4500 HB2 :: 1.8000 HB3 :: 2.4490 HG2 :: 2.0190 HG3 :: 2.0190 HD2 :: 3.6800 HD3 :: 3.4760 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.L89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 C 0.28 R 0.13 G 0.03 C Shift Assignments>> C :: 178.4610 CA :: 55.5640 CB :: 42.7940 CG :: 27.0000 CD1 :: 23.8570 CD2 :: 25.9000 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.5150 HA :: 4.3920 HB2 :: 1.8590 HB3 :: 1.5060 HG :: 1.6670 HD11 :: 0.8660 HD12 :: 0.8660 HD13 :: 0.8660 HD21 :: 0.8660 HD22 :: 0.8660 HD23 :: 0.8660 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 :: 114.3550 Ave N Shift Values>> N :: 121.86(3.9) 1.M90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 M 0.37 A 0.22 C Shift Assignments>> C :: 177.3810 CA :: 55.7780 CB :: 31.7940 CG :: 33.0800 CE :: 18.7700 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 :: 7.7950 HA :: 4.9570 HB2 :: 2.3770 HB3 :: 2.2190 HG2 :: 2.5350 HG3 :: 2.9070 HE1 :: 2.0840 HE2 :: 2.0840 HE3 :: 2.0840 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 :: 114.1410 Ave N Shift Values>> N :: 120.09(3.57) 1.C91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.34 C 0.25 R 0.15 Q 0.06 E 0.04 L 0.04 P 0.04 K 0.03 HN Overlap>> 1.Q62 1.Q62 C Shift Assignments>> C :: 175.9320 CA :: 60.0750 CB :: 27.1560 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.0270 HA :: 4.4220 HB2 :: 3.0940 HB3 :: 3.1690 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 :: 116.3300 Ave N Shift Values>> N :: 120.17(4.64) 1.Q92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.28 Q 0.26 C 0.25 R 0.1 M 0.07 E 0.01 C Shift Assignments>> C :: 175.9320 CA :: 56.6730 CB :: 28.8130 CG :: 32.9400 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 :: 7.3850 HA :: 4.3640 HB2 :: 1.6910 HB3 :: 1.7750 HG2 :: 1.4540 HG3 :: 1.9850 HE21 :: 7.1270 HE22 :: 7.3710 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 :: 118.0060 NE2 :: 111.0200 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.F93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.69 C 0.3 HN Overlap>> 1.K105 1.K105 C Shift Assignments>> C :: 175.4650 CA :: 58.3730 CB :: 40.3260 CD1 :: 131.7000 CD2 :: 131.7000 CE1 :: 131.8700 CE2 :: 131.8700 CZ :: 129.2000 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 :: 7.5490 HA :: 4.8370 HB2 :: 3.6930 HB3 :: 2.6450 HD1 :: 7.3720 HD2 :: 7.3720 HE1 :: 7.3230 HE2 :: 7.3230 HZ :: 7.1590 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 116.9850 Ave N Shift Values>> N :: 120.45(4.18) 1.G94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.05 C 0.05 HN Overlap>> 1.G126 1.G126 C Shift Assignments>> C :: 174.7280 CA :: 46.7130 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.3940 HA2 :: 3.9450 HA3 :: 3.9450 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.1980 Ave N Shift Values>> N :: 109.67(3.87) 1.L95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.47 C 0.28 L 0.24 C Shift Assignments>> C :: 173.9920 CA :: 53.1150 CB :: 40.1830 CG :: 26.7800 CD1 :: 21.7740 CD2 :: 26.2950 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 :: 8.0070 HA :: 4.4810 HB2 :: 1.6430 HB3 :: 1.4330 HG :: 1.8320 HD11 :: 0.9160 HD12 :: 0.9160 HD13 :: 0.9160 HD21 :: 1.1850 HD22 :: 1.1850 HD23 :: 1.1850 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 :: 118.7340 Ave N Shift Values>> N :: 121.86(3.9) 1.P96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.68 C 0.31 C Shift Assignments>> C :: 177.7790 CA :: 62.7210 CB :: 32.3090 CG :: 28.0200 CD :: 50.2600 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.5010 HB2 :: 1.8300 HB3 :: 2.5450 HG2 :: 1.9680 HG3 :: 1.8260 HD2 :: 3.9140 HD3 :: 3.4350 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.A97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.61 A 0.26 I 0.07 C 0.03 C Shift Assignments>> C :: 180.4020 CA :: 55.8630 CB :: 18.1120 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.1030 HA :: 4.0140 HB1 :: 1.4900 HB2 :: 1.4900 HB3 :: 1.4900 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 128.2620 Ave N Shift Values>> N :: 123.23(3.54) 1.E98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 I 0.3 E 0.25 K 0.02 C Shift Assignments>> C :: 179.8610 CA :: 59.8670 CB :: 29.2810 CG :: 37.1100 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 :: 9.7110 HA :: 4.0740 HB2 :: 1.9700 HB3 :: 1.9700 HG2 :: 2.3970 HG3 :: 2.4290 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 116.0090 Ave N Shift Values>> N :: 120.67(3.48) 1.A99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.5 M 0.44 C 0.02 I 0.02 C Shift Assignments>> C :: 178.5350 CA :: 54.6960 CB :: 18.3220 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.6520 HA :: 4.0010 HB1 :: 1.2340 HB2 :: 1.2340 HB3 :: 1.2340 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.8130 Ave N Shift Values>> N :: 123.23(3.54) 1.V100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.93 C 0.06 C Shift Assignments>> C :: 178.3630 CA :: 67.5520 CB :: 31.6450 CG1 :: 23.0500 CG2 :: 21.8700 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 :: 7.5750 HA :: 3.3960 HB :: 2.2320 HG11 :: 0.9530 HG12 :: 0.9530 HG13 :: 0.9530 HG21 :: 0.9530 HG22 :: 0.9530 HG23 :: 0.9530 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 :: 120.2800 Ave N Shift Values>> N :: 121.14(4.54) 1.E101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 E 0.31 I 0.14 K 0.1 Q 0.07 M 0.01 C Shift Assignments>> C :: 178.9530 CA :: 59.3660 CB :: 29.1600 CG :: 35.8000 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 :: 8.3210 HA :: 4.1950 HB2 :: 1.9900 HB3 :: 2.0920 HG2 :: 2.2930 HG3 :: 2.3350 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 :: 119.4390 Ave N Shift Values>> N :: 120.67(3.48) 1.A102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.54 A 0.38 I 0.03 C 0.02 C Shift Assignments>> C :: 180.1560 CA :: 55.2100 CB :: 18.1520 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.5580 HA :: 4.2450 HB1 :: 1.7800 HB2 :: 1.7800 HB3 :: 1.7800 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.4230 Ave N Shift Values>> N :: 123.23(3.54) 1.A103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.49 A 0.45 I 0.02 C 0.02 C Shift Assignments>> C :: 180.3280 CA :: 54.8020 CB :: 18.1230 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.4250 HA :: 3.9030 HB1 :: 1.4650 HB2 :: 1.4650 HB3 :: 1.4650 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.4930 Ave N Shift Values>> N :: 123.23(3.54) 1.N104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.23 F 0.19 C 0.18 N 0.15 D 0.08 E 0.05 I 0.04 L 0.03 M 0.02 C Shift Assignments>> C :: 176.7920 CA :: 56.0050 CB :: 38.3340 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 :: 8.4010 HA :: 4.5830 HB2 :: 3.0630 HB3 :: 2.8320 HD21 :: 6.5980 HD22 :: 7.3730 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 :: 119.3500 ND2 :: 111.8000 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.44 C 0.36 R 0.17 HN Overlap>> 1.F93 1.F93 C Shift Assignments>> C :: 176.7180 CA :: 56.2520 CB :: 33.3100 CG :: 25.3600 CD :: 29.3700 CE :: 42.2300 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 :: 7.6570 HA :: 4.3600 HB2 :: 2.0570 HB3 :: 1.8820 HG2 :: 1.5620 HG3 :: 1.6460 HD2 :: 1.7240 HD3 :: 1.7240 HE2 :: 3.0000 HE3 :: 3.0000 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 117.0020 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G106 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 :: 173.0340 CA :: 46.1140 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.7370 HA2 :: 3.9580 HA3 :: 3.9580 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.9600 Ave N Shift Values>> N :: 109.67(3.87) 1.D107 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 K 0.09 R 0.06 C 0.05 F 0.04 Y 0.02 G 0.01 C Shift Assignments>> C :: 175.3180 CA :: 52.2590 CB :: 42.0320 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 :: 7.7900 HA :: 4.7490 HB2 :: 2.9810 HB3 :: 2.3300 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 :: 118.8490 Ave N Shift Values>> N :: 120.65(3.86) 1.V108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.91 C 0.08 C Shift Assignments>> C :: 177.2090 CA :: 66.5690 CB :: 32.0540 CG1 :: 23.1000 CG2 :: 21.3800 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 :: 8.4040 HA :: 3.4830 HB :: 2.0640 HG11 :: 1.0490 HG12 :: 1.0490 HG13 :: 1.0490 HG21 :: 1.0120 HG22 :: 1.0120 HG23 :: 1.0120 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 :: 125.2820 Ave N Shift Values>> N :: 121.14(4.54) 1.E109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 I 0.33 E 0.23 K 0.02 C Shift Assignments>> C :: 179.1490 CA :: 60.0770 CB :: 29.1800 CG :: 37.0700 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 :: 8.3080 HA :: 4.0000 HB2 :: 2.1240 HB3 :: 2.1240 HG2 :: 2.3600 HG3 :: 2.2500 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 :: 120.5480 Ave N Shift Values>> N :: 120.67(3.48) 1.A110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.54 M 0.41 C 0.02 I 0.01 HN Overlap>> 1.V10 1.K120 1.V10 1.K120 C Shift Assignments>> C :: 180.4020 CA :: 54.3430 CB :: 18.1920 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.1860 HA :: 4.0880 HB1 :: 1.3840 HB2 :: 1.3840 HB3 :: 1.3840 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.7030 Ave N Shift Values>> N :: 123.23(3.54) 1.F111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.76 C 0.23 HN Overlap>> 1.V20 1.V20 C Shift Assignments>> C :: 175.6130 CA :: 62.6960 CB :: 39.6290 CD1 :: 132.1000 CD2 :: 132.1000 CE1 :: 131.4000 CE2 :: 131.4000 CZ :: 128.9000 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 :: 8.3680 HA :: 3.8080 HB2 :: 2.9840 HB3 :: 3.4410 HD1 :: 7.3660 HD2 :: 7.3660 HE1 :: 7.1610 HE2 :: 7.1610 HZ :: 6.6700 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 122.2820 Ave N Shift Values>> N :: 120.45(4.18) 1.A112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.59 A 0.31 I 0.05 C 0.03 C Shift Assignments>> C :: 179.2970 CA :: 55.6340 CB :: 18.1560 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.5270 HA :: 3.7580 HB1 :: 1.5000 HB2 :: 1.5000 HB3 :: 1.5000 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.7720 Ave N Shift Values>> N :: 123.23(3.54) 1.K113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 K 0.42 R 0.1 C Shift Assignments>> C :: 178.8300 CA :: 59.2890 CB :: 32.2600 CG :: 25.3000 CD :: 29.4200 CE :: 42.1000 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 :: 8.1040 HA :: 3.9550 HB2 :: 1.8300 HB3 :: 1.8300 HG2 :: 1.5490 HG3 :: 1.4190 HD2 :: 1.6550 HD3 :: 1.6550 HE2 :: 2.9400 HE3 :: 2.9400 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 :: 116.7020 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.64 M 0.31 C 0.02 I 0.01 C Shift Assignments>> C :: 179.7140 CA :: 54.0380 CB :: 18.5330 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.8460 HA :: 4.1000 HB1 :: 1.2360 HB2 :: 1.2360 HB3 :: 1.2360 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.0040 Ave N Shift Values>> N :: 123.23(3.54) 1.M115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 M 0.42 A 0.13 C Shift Assignments>> C :: 178.0930 CA :: 54.6600 CB :: 29.7040 CG :: 31.9000 CE :: 15.8600 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 :: 7.5050 HA :: 4.4130 HB2 :: 1.8540 HB3 :: 1.8540 HG2 :: 1.7550 HG3 :: 1.9320 HE1 :: 1.8300 HE2 :: 1.8300 HE3 :: 1.8300 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 :: 114.7960 Ave N Shift Values>> N :: 120.09(3.57) 1.Q116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 Q 0.27 K 0.25 E 0.11 M 0.03 R 0.02 I 0.01 C Shift Assignments>> C :: 176.9390 CA :: 57.8020 CB :: 29.2040 CG :: 34.1600 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 :: 7.8880 HA :: 4.1120 HB2 :: 2.1200 HB3 :: 2.1520 HG2 :: 2.3400 HG3 :: 2.4500 HE21 :: 6.8280 HE22 :: 7.4620 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.6940 NE2 :: 111.5300 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.N117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.44 D 0.15 C 0.11 Y 0.1 F 0.09 L 0.04 E 0.01 M 0.01 C Shift Assignments>> C :: 175.3670 CA :: 53.8780 CB :: 38.6240 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 :: 8.2350 HA :: 4.6470 HB2 :: 2.7900 HB3 :: 2.9020 HD21 :: 6.9000 HD22 :: 7.6870 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 117.6930 ND2 :: 112.6600 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.N118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.34 D 0.27 L 0.1 F 0.09 Y 0.08 C 0.07 HN Overlap>> 1.D39 1.D39 C Shift Assignments>> C :: 174.3850 CA :: 53.7600 CB :: 39.6690 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 :: 7.9340 HA :: 4.7160 HB2 :: 2.8500 HB3 :: 2.6770 HD21 :: 7.7750 HD22 :: 7.0490 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 118.4390 ND2 :: 113.4800 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.86 M 0.1 C 0.01 C Shift Assignments>> C :: 177.2340 CA :: 52.5730 CB :: 19.1990 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.8890 HA :: 4.3240 HB1 :: 1.4220 HB2 :: 1.4220 HB3 :: 1.4220 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.3660 Ave N Shift Values>> N :: 123.23(3.54) 1.K120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.56 C 0.3 R 0.11 G 0.01 HN Overlap>> 1.A110 1.A110 C Shift Assignments>> C :: 174.4830 CA :: 54.1550 CB :: 32.5450 CG :: 24.8400 CD :: 29.2900 CE :: 42.2700 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 :: 8.2120 HA :: 4.6000 HB2 :: 1.7400 HB3 :: 1.8400 HG2 :: 1.4720 HG3 :: 1.5070 HD2 :: 1.7100 HD3 :: 1.7100 HE2 :: 3.0200 HE3 :: 3.0200 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 :: 121.7860 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.73 C 0.26 C Shift Assignments>> C :: 176.9760 CA :: 63.1330 CB :: 32.0610 CG :: 27.5000 CD :: 50.8300 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 :: 4.4230 HB2 :: 1.9230 HB3 :: 2.3110 HG2 :: 2.0100 HG3 :: 2.0100 HD2 :: 3.8500 HD3 :: 3.6600 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.E122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.42 C 0.35 M 0.09 K 0.05 Q 0.03 I 0.03 C Shift Assignments>> C :: 176.4230 CA :: 56.7020 CB :: 30.2550 CG :: 36.5000 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 :: 8.6240 HA :: 4.2500 HB2 :: 1.9600 HB3 :: 2.0200 HG2 :: 2.2670 HG3 :: 2.2670 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 :: 121.4770 Ave N Shift Values>> N :: 120.67(3.48) 1.Q123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.31 K 0.24 C 0.23 E 0.1 M 0.08 R 0.01 HN Overlap>> 1.V40 1.V40 C Shift Assignments>> C :: 175.6370 CA :: 55.7280 CB :: 29.6380 CG :: 34.1000 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 :: 8.4760 HA :: 4.3600 HB2 :: 1.9830 HB3 :: 2.0960 HG2 :: 2.3500 HG3 :: 2.3500 HE21 :: 6.8310 HE22 :: 7.5690 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 122.4630 NE2 :: 112.4400 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.47 C 0.39 R 0.11 G 0.01 C Shift Assignments>> C :: 176.4970 CA :: 56.2210 CB :: 33.1330 CG :: 24.7200 CD :: 29.1700 CE :: 42.2700 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 :: 8.4840 HA :: 4.3550 HB2 :: 1.7760 HB3 :: 1.8430 HG2 :: 1.4240 HG3 :: 1.4240 HD2 :: 1.6800 HD3 :: 1.6800 HE2 :: 3.0000 HE3 :: 3.0000 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 123.7930 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.41 C 0.35 M 0.08 K 0.05 Q 0.04 I 0.03 C Shift Assignments>> C :: 176.9630 CA :: 56.7690 CB :: 30.2250 CG :: 36.4500 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 :: 8.5880 HA :: 4.2700 HB2 :: 1.9600 HB3 :: 2.0700 HG2 :: 2.2670 HG3 :: 2.2670 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 :: 122.7790 Ave N Shift Values>> N :: 120.67(3.48) 1.G126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.83 L 0.1 C 0.02 R 0.01 F 0.01 HN Overlap>> 1.G94 1.G94 C Shift Assignments>> C :: 173.8440 CA :: 45.2720 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.5020 HA2 :: 3.9830 HA3 :: 3.9830 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.2310 Ave N Shift Values>> N :: 109.67(3.87) 1.D127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.23 K 0.12 F 0.09 N 0.08 Y 0.06 C 0.05 R 0.02 C Shift Assignments>> C :: 176.7180 CA :: 54.3490 CB :: 41.3330 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 :: 8.2850 HA :: 4.6920 HB2 :: 2.6550 HB3 :: 2.7430 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 :: 120.7530 Ave N Shift Values>> N :: 120.65(3.86) 1.T128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 HN Overlap>> 1.L86 1.L86 C Shift Assignments>> C :: 174.7040 CA :: 62.0870 CB :: 69.6950 CG2 :: 21.6600 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 :: 8.1920 HA :: 4.3120 HB :: 4.2620 HG21 :: 1.2060 HG22 :: 1.2060 HG23 :: 1.2060 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 :: 114.6390 Ave N Shift Values>> N :: 115.42(4.75) 1.K129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.46 C 0.4 R 0.11 C Shift Assignments>> C :: 176.2510 CA :: 56.5480 CB :: 32.9000 CG :: 24.8400 CD :: 29.2300 CE :: 42.2600 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.3630 HA :: 4.3580 HB2 :: 1.8280 HB3 :: 1.8280 HG2 :: 1.4220 HG3 :: 1.4220 HD2 :: 1.6840 HD3 :: 1.6840 HE2 :: 3.0000 HE3 :: 3.0000 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 123.6460 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.23 K 0.12 F 0.09 N 0.09 Y 0.06 C 0.05 R 0.01 HN Overlap>> 1.E135 1.E135 C Shift Assignments>> C :: 175.9100 CA :: 54.3430 CB :: 41.2760 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 :: 8.3680 HA :: 4.5720 HB2 :: 2.6050 HB3 :: 2.7050 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 :: 121.4740 Ave N Shift Values>> N :: 120.65(3.86) 1.K131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.47 C 0.39 R 0.12 G 0.01 C Shift Assignments>> C :: 176.4230 CA :: 56.2670 CB :: 33.0020 CG :: 24.7900 CD :: 29.1400 CE :: 42.3000 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 :: 8.1800 HA :: 4.3090 HB2 :: 1.7650 HB3 :: 1.8340 HG2 :: 1.4200 HG3 :: 1.4200 HD2 :: 1.6800 HD3 :: 1.6800 HE2 :: 3.0000 HE3 :: 3.0000 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.9600 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.47 C 0.39 R 0.11 G 0.01 C Shift Assignments>> C :: 176.3990 CA :: 56.2210 CB :: 32.9790 CG :: 24.8000 CD :: 29.3000 CE :: 42.3000 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 :: 8.4730 HA :: 4.3470 HB2 :: 1.7700 HB3 :: 1.8400 HG2 :: 1.4300 HG3 :: 1.4300 HD2 :: 1.6700 HD3 :: 1.6700 HE2 :: 3.0000 HE3 :: 3.0000 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 123.4790 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.22 K 0.11 F 0.11 N 0.08 Y 0.08 C 0.06 R 0.01 HN Overlap>> 1.D137 1.M138 1.D137 1.M138 C Shift Assignments>> C :: 176.2340 CA :: 54.7660 CB :: 41.0950 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.4340 HA :: 4.5970 HB2 :: 2.6050 HB3 :: 2.7390 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 :: 121.8820 Ave N Shift Values>> N :: 120.65(3.86) 1.E134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.41 C 0.35 M 0.09 K 0.05 Q 0.04 I 0.03 C Shift Assignments>> C :: 176.4480 CA :: 56.7170 CB :: 30.2810 CG :: 36.3800 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 :: 8.3710 HA :: 4.3040 HB2 :: 2.1110 HB3 :: 1.9410 HG2 :: 2.2700 HG3 :: 2.2700 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 :: 120.6530 Ave N Shift Values>> N :: 120.67(3.48) 1.E135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.41 C 0.35 M 0.09 K 0.05 Q 0.04 I 0.03 HN Overlap>> 1.D130 1.D130 C Shift Assignments>> C :: 176.5210 CA :: 56.6480 CB :: 30.2980 CG :: 36.4500 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 :: 8.3810 HA :: 4.3090 HB2 :: 1.9540 HB3 :: 2.0790 HG2 :: 2.2700 HG3 :: 2.2700 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 :: 121.4740 Ave N Shift Values>> N :: 120.67(3.48) 1.E136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.41 C 0.36 M 0.11 K 0.03 Q 0.03 I 0.02 HN Overlap>> 1.M8 1.M8 1.M138 1.M138 C Shift Assignments>> C :: 176.0790 CA :: 56.5620 CB :: 30.5630 CG :: 36.5300 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 :: 8.3860 HA :: 4.2690 HB2 :: 1.9640 HB3 :: 2.0410 HG2 :: 2.2700 HG3 :: 2.2700 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 :: 122.0570 Ave N Shift Values>> N :: 120.67(3.48) 1.D137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.22 N 0.1 K 0.1 F 0.09 Y 0.07 C 0.05 R 0.01 HN Overlap>> 1.D133 1.D133 C Shift Assignments>> C :: 176.2510 CA :: 54.3170 CB :: 41.1010 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 :: 8.4460 HA :: 4.6090 HB2 :: 2.6180 HB3 :: 2.7790 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 :: 121.8570 Ave N Shift Values>> N :: 120.65(3.86) 1.M138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.25 K 0.21 C 0.18 Q 0.15 R 0.12 E 0.05 V 0.01 HN Overlap>> 1.D133 1.E136 1.D133 1.E136 C Shift Assignments>> C :: 176.2620 CA :: 55.4360 CB :: 32.7170 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 :: 8.3690 HA :: 4.5290 HB2 :: 2.1510 HB3 :: 2.0170 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 :: 121.9490 Ave N Shift Values>> N :: 120.09(3.57) 1.S139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.Q71 1.Q71 C Shift Assignments>> C :: 174.4830 CA :: 58.6940 CB :: 63.7430 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.4480 HA :: 4.4100 HB2 :: 3.8900 HB3 :: 3.8900 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 :: 117.5070 Ave N Shift Values>> N :: 116.28(3.52) 1.L140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.63 C 0.27 R 0.04 A 0.02 G 0.01 HN Overlap>> 1.A6 1.A6 C Shift Assignments>> C :: 176.3000 CA :: 55.0870 CB :: 42.3370 CG :: 26.8300 CD1 :: 23.3400 CD2 :: 25.1500 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 :: 8.3220 HA :: 4.4170 HB2 :: 1.6430 HB3 :: 1.6430 HG :: 1.6350 HD11 :: 0.8640 HD12 :: 0.8640 HD13 :: 0.8640 HD21 :: 0.9300 HD22 :: 0.9300 HD23 :: 0.9300 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 :: 124.8630 Ave N Shift Values>> N :: 121.86(3.9) 1.D141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.25 K 0.2 D 0.15 R 0.13 F 0.09 Y 0.06 C 0.05 N 0.01 C Shift Assignments>> C :: 180.8680 CA :: 55.7690 CB :: 42.2450 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 :: 7.8790 HA :: 4.3970 HB2 :: 2.5550 HB3 :: 2.6680 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 126.1490 Ave N Shift Values>> N :: 120.65(3.86) ########################################################################### Overall Results: #Consistent: 138 #Clerical: 0 #Suspicious: 3 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 138 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 3 Shift Relative Order (SRO) Results: #Consistent: 141 #Suspicious: 0 C Shift Results: #Consistent: 577 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 939 #Duplicate: 0 #Unknown: 0 #Suspicious: 3 #Anomalous: 0 N Shift Results: #Consistent: 146 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.P28 HG2 = 0.3210(S), Expected = 1.93, Std = 0.3100, ChiSquare = 2.0993e-07 1.I34 HG12 = -0.3210(S), Expected = 1.28, Std = 0.4000, ChiSquare = 6.2677e-05 1.P46 HB2 = 0.7020(S), Expected = 2.08, Std = 0.3500, ChiSquare = 8.2458e-05