Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> W 0.54 H 0.45 C Shift Assignments>> C :: 176.3540 CA :: 58.7210 CB :: 30.4700 CE1 :: 138.0110 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> HA :: 4.5600 HB2 :: 3.1770 HB3 :: 3.2260 HD2 :: 7.0782 HE1 :: 7.9110 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) 1.M4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.94 A 0.05 C Shift Assignments>> C :: 178.5860 CA :: 57.7990 CB :: 32.4610 CG :: 32.5170 CE :: 17.7950 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 :: 8.3560 HA :: 4.2180 HB2 :: 2.1750 HB3 :: 2.1130 HG2 :: 2.6720 HG3 :: 2.5090 HE1 :: 2.0640 HE2 :: 2.0640 HE3 :: 2.0640 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 :: 118.5000 Ave N Shift Values>> N :: 120.09(3.57) 1.V5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.A43 1.A43 1.I109 1.I109 C Shift Assignments>> C :: 178.0780 CA :: 66.1270 CB :: 31.7580 CG1 :: 21.0660 CG2 :: 22.4140 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 :: 7.9140 HA :: 3.7950 HB :: 2.1730 HG11 :: 0.9850 HG12 :: 0.9850 HG13 :: 0.9850 HG21 :: 1.0750 HG22 :: 1.0750 HG23 :: 1.0750 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 :: 121.4090 Ave N Shift Values>> N :: 121.14(4.54) 1.K6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.85 R 0.13 C Shift Assignments>> C :: 180.1560 CA :: 60.0800 CB :: 32.2620 CG :: 25.4250 CD :: 29.3270 CE :: 41.7700 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 :: 8.0530 HA :: 4.0880 HB2 :: 1.9890 HG2 :: 1.6520 HG3 :: 1.4540 HD2 :: 1.7140 HD3 :: 1.7470 HE2 :: 3.0340 HE3 :: 2.9560 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.9020 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 177.5180 CA :: 66.3100 CB :: 31.3070 CG1 :: 22.0610 CG2 :: 22.8120 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 :: 8.4380 HA :: 3.7270 HB :: 1.9880 HG11 :: 0.8760 HG12 :: 0.8760 HG13 :: 0.8760 HG21 :: 0.8980 HG22 :: 0.8980 HG23 :: 0.8980 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.9880 Ave N Shift Values>> N :: 121.14(4.54) 1.S8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 62.4760 CB :: 62.3500 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.3180 HA :: 4.0810 HB2 :: 3.8870 HB3 :: 3.8870 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.3150 Ave N Shift Values>> N :: 116.28(3.52) 1.K9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.81 R 0.17 HN Overlap>> 1.E52 1.E52 C Shift Assignments>> C :: 179.1170 CA :: 59.6800 CB :: 32.1280 CG :: 25.5580 CD :: 29.1530 CE :: 41.8480 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 :: 7.9990 HA :: 4.1970 HB2 :: 1.9630 HG2 :: 1.6980 HG3 :: 1.4620 HD2 :: 1.6830 HD3 :: 1.6650 HE2 :: 2.9810 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 :: 121.1740 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.73 Y 0.26 C Shift Assignments>> C :: 176.7240 CA :: 61.6700 CB :: 39.6460 CD1 :: 131.4180 CE1 :: 130.5900 CZ :: 128.5440 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 :: 7.9010 HA :: 4.2150 HB2 :: 3.0370 HB3 :: 2.9400 HD1 :: 6.9360 HE1 :: 7.0430 HZ :: 6.8150 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 :: 123.0840 Ave N Shift Values>> N :: 120.45(4.18) 1.L11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.88 R 0.09 G 0.02 C Shift Assignments>> C :: 178.5250 CA :: 57.4380 CB :: 42.3500 CG :: 26.8490 CD1 :: 25.3400 CD2 :: 24.8130 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 :: 8.8330 HA :: 3.7850 HB2 :: 1.5980 HB3 :: 1.2510 HG :: 1.4200 HD11 :: 0.5160 HD12 :: 0.5160 HD13 :: 0.5160 HD21 :: 0.2410 HD22 :: 0.2410 HD23 :: 0.2410 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 :: 118.6610 Ave N Shift Values>> N :: 121.86(3.9) 1.S12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.31 V 0.25 T 0.21 I 0.16 F 0.01 Y 0.01 C Shift Assignments>> CA :: 63.5700 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.0090 HA :: 4.0750 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 112.8150 Ave N Shift Values>> N :: 116.28(3.52) 1.L13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.94 R 0.04 C Shift Assignments>> C :: 179.2490 CA :: 58.8900 CB :: 41.7320 CG :: 26.9260 CD1 :: 25.3560 CD2 :: 24.0260 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 :: 7.6630 HA :: 4.1100 HB2 :: 1.8440 HB3 :: 1.6650 HG :: 1.4610 HD11 :: 0.8310 HD12 :: 0.8310 HD13 :: 0.8310 HD21 :: 0.9310 HD22 :: 0.9310 HD23 :: 0.9310 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 :: 122.0170 Ave N Shift Values>> N :: 121.86(3.9) 1.V14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 174.7010 CA :: 64.7020 CB :: 32.1410 CG1 :: 20.9370 CG2 :: 21.7880 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 :: 8.0530 HA :: 3.5860 HB :: 1.8540 HG11 :: 0.5870 HG12 :: 0.5870 HG13 :: 0.5870 HG21 :: 0.5430 HG22 :: 0.5430 HG23 :: 0.5430 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 114.9240 Ave N Shift Values>> N :: 121.14(4.54) 1.L15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.68 R 0.23 G 0.04 A 0.03 C Shift Assignments>> C :: 178.3070 CA :: 55.5990 CB :: 42.6980 CG :: 26.9320 CD1 :: 23.1410 CD2 :: 26.2710 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 :: 7.8420 HA :: 4.3440 HB2 :: 1.7490 HB3 :: 1.5980 HG :: 1.4960 HD11 :: 0.7570 HD12 :: 0.7570 HD13 :: 0.7570 HD21 :: 0.6080 HD22 :: 0.6080 HD23 :: 0.6080 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 :: 111.5960 Ave N Shift Values>> N :: 121.86(3.9) 1.R16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.7 K 0.23 G 0.06 C Shift Assignments>> C :: 176.2220 CA :: 56.7520 CB :: 31.6350 CG :: 27.3950 CD :: 43.0640 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.0460 HA :: 4.3320 HB2 :: 1.3680 HB3 :: 1.4800 HG2 :: 1.1490 HG3 :: 1.0800 HD2 :: 2.9630 HD3 :: 2.8710 HE :: 7.1333 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 :: 115.8090 NE :: 84.5300 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.H17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.5 W 0.49 C Shift Assignments>> C :: 175.8650 CA :: 57.7030 CB :: 32.6820 CD2 :: 120.9610 CE1 :: 138.2810 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 7.3180 HA :: 4.8630 HB2 :: 3.1540 HB3 :: 3.0010 HD2 :: 6.9360 HE1 :: 7.8570 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 115.3320 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.N18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.79 D 0.11 F 0.03 Y 0.03 L 0.02 C Shift Assignments>> C :: 171.5230 CA :: 50.9380 CB :: 38.3490 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 :: 8.8770 HA :: 5.2200 HB2 :: 2.4690 HB3 :: 2.8450 HD21 :: 7.5240 HD22 :: 6.8770 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 114.7430 ND2 :: 109.3700 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.P19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 178.6180 CA :: 65.5470 CB :: 30.2130 CG :: 27.4060 CD :: 49.9810 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.6000 HB2 :: 2.3000 HB3 :: 2.2660 HG2 :: 2.0210 HG3 :: 2.0420 HD2 :: 3.3170 HD3 :: 3.8410 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.A20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.54 M 0.43 I 0.01 C Shift Assignments>> C :: 179.8770 CA :: 54.2620 CB :: 18.0300 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.7730 HA :: 4.1590 HB1 :: 1.5090 HB2 :: 1.5090 HB3 :: 1.5090 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.5900 Ave N Shift Values>> N :: 123.23(3.54) 1.L21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.83 G 0.08 R 0.08 HN Overlap>> 1.I109 1.I109 C Shift Assignments>> C :: 178.4850 CA :: 58.0520 CB :: 43.0970 CG :: 27.0620 CD1 :: 24.8800 CD2 :: 24.4710 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 :: 7.7850 HA :: 4.1060 HB2 :: 1.7600 HB3 :: 1.5570 HG :: 1.7400 HD11 :: 0.9170 HD12 :: 0.9170 HD13 :: 0.9170 HD21 :: 0.9870 HD22 :: 0.9870 HD23 :: 0.9870 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 :: 121.4460 Ave N Shift Values>> N :: 121.86(3.9) 1.I22 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> I 0.98 A 0.01 C Shift Assignments>> C :: 175.7410 CA :: 58.9190 CB :: 38.5740 CG1 :: 25.4540 CG2 :: 17.9250 CD1 :: 14.8520 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 :: 6.9270 HA :: 4.8070 HB :: 2.2656 HG12 :: 1.4120 HG13 :: 1.3670 HG21 :: 0.9600 HG22 :: 0.9600 HG23 :: 0.9600 HD11 :: 0.8450 HD12 :: 0.8450 HD13 :: 0.8450 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 :: 103.4800(S) Ave N Shift Values>> N :: 121.46(4.28) 1.G23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.06 C Shift Assignments>> C :: 174.1110 CA :: 46.2870 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.7460 HA2 :: 3.8820 HA3 :: 3.9220 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.6830 Ave N Shift Values>> N :: 109.67(3.87) 1.L24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 L 0.17 A 0.02 R 0.01 C Shift Assignments>> C :: 174.2490 CA :: 53.7950 CB :: 45.4480 CG :: 26.3590 CD1 :: 23.8750 CD2 :: 27.1040 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 :: 7.5070 HA :: 4.2730 HB2 :: 1.0650 HB3 :: 1.7700 HG :: 1.4550 HD11 :: 0.8690 HD12 :: 0.8690 HD13 :: 0.8690 HD21 :: 0.7240 HD22 :: 0.7240 HD23 :: 0.7240 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 :: 122.0770 Ave N Shift Values>> N :: 121.86(3.9) 1.D25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.29 K 0.13 R 0.09 N 0.06 F 0.05 Y 0.03 C Shift Assignments>> C :: 174.9830 CA :: 53.4200 CB :: 42.1460 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 :: 8.5850 HA :: 4.8760 HB2 :: 2.5980 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 :: 125.9420 Ave N Shift Values>> N :: 120.65(3.86) 1.L26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.78 G 0.09 A 0.06 R 0.06 C Shift Assignments>> C :: 177.9560 CA :: 53.0560 CB :: 43.1450 CG :: 27.0050 CD1 :: 25.4330 CD2 :: 23.2550 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 :: 8.3800 HA :: 4.8000 HB2 :: 1.7940 HB3 :: 1.2470 HG :: 1.5720 HD11 :: 0.9250 HD12 :: 0.9250 HD13 :: 0.9250 HD21 :: 0.7960 HD22 :: 0.7960 HD23 :: 0.7960 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 :: 122.2090 Ave N Shift Values>> N :: 121.86(3.9) 1.D27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.4 N 0.23 L 0.19 F 0.06 K 0.05 Y 0.04 HN Overlap>> 1.L53 1.L53 C Shift Assignments>> C :: 178.1920 CA :: 52.4980 CB :: 41.0540 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 :: 8.5220 HA :: 4.7420 HB2 :: 2.9210 HB3 :: 3.5040 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 :: 121.1250 Ave N Shift Values>> N :: 120.65(3.86) 1.A28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.6 M 0.36 I 0.01 HN Overlap>> 1.R132 1.R132 C Shift Assignments>> C :: 178.5890 CA :: 54.6700 CB :: 18.8050 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.4660 HA :: 4.1270 HB1 :: 1.4550 HB2 :: 1.4550 HB3 :: 1.4550 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.0740 Ave N Shift Values>> N :: 123.23(3.54) 1.N29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.37 N 0.34 L 0.14 F 0.06 Y 0.05 K 0.01 C Shift Assignments>> C :: 174.1050 CA :: 52.5560 CB :: 40.4300 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.4390 HA :: 4.9390 HB2 :: 2.8610 HB3 :: 2.9690 HD21 :: 7.1430 HD22 :: 8.0770 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 114.1750 ND2 :: 115.0080 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.09 R 0.01 C Shift Assignments>> C :: 173.2000 CA :: 45.3690 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.1860 HA2 :: 4.1300 HA3 :: 3.5660 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.7400 Ave N Shift Values>> N :: 109.67(3.87) 1.W31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.99 C Shift Assignments>> C :: 177.2220 CA :: 57.3910 CB :: 30.7050 CD1 :: 129.6650 CE3 :: 120.0630 CZ2 :: 114.6930 CH2 :: 123.5340 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.3000 HA :: 4.6600 HB2 :: 3.4060 HB3 :: 2.9120 HD1 :: 7.8640 HE1 :: 10.4220 HE3 :: 7.2320 HZ2 :: 7.3830 HZ3 :: 7.0080 HH2 :: 6.8450 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 119.6120 NE1 :: 129.6510 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.A32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.58 A 0.36 L 0.04 C Shift Assignments>> C :: 175.0210 CA :: 48.2740 CB :: 21.5880 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.8000 HA :: 5.2830 HB1 :: 1.3200 HB2 :: 1.3200 HB3 :: 1.3200 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.2640 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 0.99 C Shift Assignments>> C :: 178.3580 CA :: 61.9990 CB :: 31.5900 CG :: 28.5660 CD :: 51.0830 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 :: 4.9930 HB2 :: 2.6350 HB3 :: 2.1220 HG2 :: 2.4248 HG3 :: 2.1220 HD2 :: 4.2790 HD3 :: 3.6360 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.V34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 67.1970 CB :: 31.9230 CG1 :: 24.7070 CG2 :: 22.6400 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.0410 HA :: 3.4740 HB :: 2.0700 HG11 :: 1.0900 HG12 :: 1.0900 HG13 :: 1.0900 HG21 :: 1.0160 HG22 :: 1.0160 HG23 :: 1.0160 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 129.1600 Ave N Shift Values>> N :: 121.14(4.54) 1.K35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.8 R 0.17 G 0.01 HN Overlap>> 1.S49 1.S49 C Shift Assignments>> C :: 179.6710 CA :: 60.3100 CB :: 32.2580 CG :: 25.4520 CD :: 29.4620 CE :: 42.0142 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 :: 9.0610 HA :: 4.0000 HB2 :: 1.8650 HB3 :: 1.9190 HG2 :: 1.6290 HG3 :: 1.4660 HD2 :: 1.7490 HE2 :: 3.0470 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.0740 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.64 I 0.14 M 0.08 K 0.07 Q 0.05 C Shift Assignments>> C :: 177.8460 CA :: 58.6770 CB :: 30.1900 CG :: 36.4080 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 :: 7.0030 HA :: 4.2650 HB2 :: 1.9710 HB3 :: 2.1390 HG2 :: 2.4190 HG3 :: 2.2640 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 :: 118.6150 Ave N Shift Values>> N :: 120.67(3.48) 1.L37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.54 L 0.43 G 0.01 R 0.01 C Shift Assignments>> C :: 178.3130 CA :: 59.1680 CB :: 41.8890 CD1 :: 27.1290 CD2 :: 24.0190 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 :: 8.2160 HA :: 3.8800 HB2 :: 2.1560 HB3 :: 1.3430 HD11 :: 0.8240 HD12 :: 0.8240 HD13 :: 0.8240 HD21 :: 0.7810 HD22 :: 0.7810 HD23 :: 0.7810 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.0500 Ave N Shift Values>> N :: 121.86(3.9) 1.L38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.96 K 0.02 C Shift Assignments>> C :: 180.5760 CA :: 58.2000 CB :: 41.3100 CD1 :: 25.8970 CD2 :: 22.6960 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 :: 8.7560 HA :: 4.0340 HB2 :: 1.9540 HB3 :: 1.5500 HD11 :: 0.9200 HD12 :: 0.9200 HD13 :: 0.9200 HD21 :: 0.8680 HD22 :: 0.8680 HD23 :: 0.8680 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 116.3600 Ave N Shift Values>> N :: 121.86(3.9) 1.A39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.58 A 0.35 I 0.05 C Shift Assignments>> C :: 181.3090 CA :: 55.4850 CB :: 18.2300 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.7730 HA :: 4.2320 HB1 :: 1.6010 HB2 :: 1.6010 HB3 :: 1.6010 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.6890 Ave N Shift Values>> N :: 123.23(3.54) 1.K40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.52 K 0.45 G 0.01 C Shift Assignments>> C :: 179.8490 CA :: 59.6860 CB :: 32.6630 CG :: 27.0320 CD :: 29.2600 CE :: 42.0780 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 :: 8.7180 HA :: 4.2130 HB2 :: 1.8960 HG2 :: 1.4010 HG3 :: 1.5580 HD2 :: 1.4300 HE2 :: 2.9700 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.4980 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.M41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.95 I 0.03 A 0.01 C Shift Assignments>> C :: 178.8390 CA :: 59.8280 CB :: 32.8140 CG :: 34.2510 CE :: 17.3970 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 :: 8.8770 HA :: 4.0260 HB2 :: 1.8660 HG2 :: 2.6990 HG3 :: 2.4660 HE1 :: 2.1500 HE2 :: 2.1500 HE3 :: 2.1500 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 119.5520 Ave N Shift Values>> N :: 120.09(3.57) 1.K42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.57 R 0.4 G 0.01 HN Overlap>> 1.L108 1.L108 C Shift Assignments>> C :: 180.0040 CA :: 59.6160 CB :: 32.0690 CD :: 28.0400 CE :: 42.2200 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 :: 7.8060 HA :: 4.1990 HB2 :: 2.0780 HG2 :: 1.4600 HD2 :: 1.7380 HD3 :: 1.5430 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.1740 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.55 M 0.42 I 0.01 HN Overlap>> 1.V5 1.V5 C Shift Assignments>> C :: 178.6140 CA :: 54.4700 CB :: 18.2920 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.8900 HA :: 4.2160 HB1 :: 1.5980 HB2 :: 1.5980 HB3 :: 1.5980 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.4990 Ave N Shift Values>> N :: 123.23(3.54) 1.K44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.64 R 0.33 G 0.01 C Shift Assignments>> C :: 176.4330 CA :: 53.1800 CB :: 32.1580 CG :: 25.2300 CD :: 28.0440 CE :: 42.1010 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 :: 7.2320 HA :: 4.5690 HB2 :: 1.8320 HB3 :: 2.2770 HG2 :: 1.6260 HG3 :: 1.6260 HD2 :: 1.8090 HD3 :: 1.8150 HE2 :: 3.0900 HE3 :: 2.9960 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 115.1150 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.9 L 0.07 C Shift Assignments>> C :: 174.0140 CA :: 45.7460 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.7190 HA2 :: 4.0130 HA3 :: 3.7990 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.5520 Ave N Shift Values>> N :: 109.67(3.87) 1.H46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.55 W 0.44 HN Overlap>> 1.V84 1.V84 C Shift Assignments>> C :: 173.9310 CA :: 53.8230 CB :: 29.8040 CD2 :: 119.5920 CE1 :: 137.9524 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.0580 HA :: 4.6740 HB2 :: 2.3510 HB3 :: 2.9630 HD2 :: 6.9540 HE1 :: 7.9178 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 120.6670 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.G47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.05 C Shift Assignments>> C :: 173.7480 CA :: 46.7670 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.3490 HA2 :: 3.5890 HA3 :: 3.8780 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.5230 Ave N Shift Values>> N :: 109.67(3.87) 1.I48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.77 G 0.19 A 0.02 HN Overlap>> 1.F156 1.V57 1.F156 1.V57 C Shift Assignments>> C :: 174.3470 CA :: 59.5220 CB :: 42.6110 CG1 :: 25.2920 CG2 :: 18.6530 CD1 :: 14.8310 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 :: 8.1280 HA :: 4.7480 HB :: 2.0550 HG12 :: 1.1640 HG13 :: 1.4910 HG21 :: 0.9430 HG22 :: 0.9430 HG23 :: 0.9430 HD11 :: 0.6720 HD12 :: 0.6720 HD13 :: 0.6720 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 119.4820 Ave N Shift Values>> N :: 121.46(4.28) 1.S49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.95 T 0.04 HN Overlap>> 1.K35 1.K35 C Shift Assignments>> C :: 175.2790 CA :: 56.2030 CB :: 66.1710 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.0590 HA :: 4.7060 HB2 :: 4.4600 HB3 :: 3.9940 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 118.1440 Ave N Shift Values>> N :: 116.28(3.52) 1.M50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.94 A 0.05 C Shift Assignments>> C :: 177.6730 CA :: 58.1410 CB :: 31.5940 CG :: 32.6800 CE :: 18.4760 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 :: 9.1180 HA :: 4.2840 HB2 :: 1.9900 HB3 :: 2.1230 HG2 :: 2.7570 HG3 :: 2.3580 HE1 :: 2.0210 HE2 :: 2.0210 HE3 :: 2.0210 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 :: 120.7030 Ave N Shift Values>> N :: 120.09(3.57) 1.E51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.62 E 0.32 K 0.03 C Shift Assignments>> C :: 179.8780 CA :: 60.5710 CB :: 29.0580 CG :: 36.9570 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.6020 HA :: 3.8790 HB2 :: 1.9320 HB3 :: 1.9970 HG2 :: 2.3480 HG3 :: 2.2380 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 :: 118.1110 Ave N Shift Values>> N :: 120.67(3.48) 1.E52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.47 I 0.46 M 0.03 K 0.02 HN Overlap>> 1.K9 1.K9 C Shift Assignments>> C :: 178.6590 CA :: 59.3860 CB :: 30.0240 CG :: 37.7000 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 :: 7.9970 HA :: 4.0380 HB2 :: 1.9180 HB3 :: 1.8560 HG2 :: 2.3050 HG3 :: 2.4010 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 :: 121.2160 Ave N Shift Values>> N :: 120.67(3.48) 1.L53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.49 K 0.48 HN Overlap>> 1.D27 1.D27 C Shift Assignments>> C :: 178.4510 CA :: 58.3810 CB :: 40.9110 CD1 :: 23.0390 CD2 :: 27.2660 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 :: 8.5690 HA :: 3.9570 HB2 :: 1.5370 HB3 :: 2.4540 HG :: 1.1260 HD11 :: 0.6170 HD12 :: 0.6170 HD13 :: 0.6170 HD21 :: 1.1010 HD22 :: 1.1010 HD23 :: 1.1010 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.1740 Ave N Shift Values>> N :: 121.86(3.9) 1.K54 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.83 R 0.15 HN Overlap>> 1.F67 1.F67 C Shift Assignments>> C :: 178.4640 CA :: 60.9380 CB :: 32.5690 CG :: 26.4020 CD :: 29.6760 CE :: 41.0880 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 :: 8.8480 HA :: 4.1850 HB2 :: 1.8730 HB3 :: 1.9670 HG2 :: 1.2340 HG3 :: 1.6510 HD2 :: 1.3120 HE2 :: 2.3990 HE3 :: 2.0620(S) 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 :: 117.4660 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.H55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.55 H 0.44 C Shift Assignments>> C :: 178.6790 CA :: 59.8800 CB :: 30.0650 CD2 :: 118.8190 CE1 :: 138.2280 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 7.9560 HA :: 4.4460 HB2 :: 3.4610 HB3 :: 3.2440 HD2 :: 7.0500 HE1 :: 8.0334 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 118.5280 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.I56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 178.1820 CA :: 65.6570 CB :: 38.3130 CG1 :: 29.6670 CG2 :: 16.7110 CD1 :: 14.2070 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 :: 8.5410 HA :: 3.5260 HB :: 1.9870 HG12 :: 1.9410 HG13 :: 1.0940 HG21 :: 0.7470 HG22 :: 0.7470 HG23 :: 0.7470 HD11 :: 0.7240 HD12 :: 0.7240 HD13 :: 0.7240 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 122.6350 Ave N Shift Values>> N :: 121.46(4.28) 1.V57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.T130 1.I48 1.T130 1.I48 C Shift Assignments>> C :: 178.8370 CA :: 66.8090 CB :: 32.1100 CG1 :: 20.7120 CG2 :: 22.5890 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 :: 8.2340 HA :: 3.6098 HB :: 2.1820 HG11 :: 0.8300 HG12 :: 0.8300 HG13 :: 0.8300 HG21 :: 0.4950 HG22 :: 0.4950 HG23 :: 0.4950 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.4720 Ave N Shift Values>> N :: 121.14(4.54) 1.E58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.64 I 0.19 M 0.07 K 0.05 Q 0.02 C Shift Assignments>> C :: 178.3740 CA :: 59.0390 CB :: 30.2320 CG :: 36.6730 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 :: 8.7360 HA :: 4.2370 HB2 :: 2.2920 HB3 :: 2.1560 HG2 :: 2.5230 HG3 :: 2.5710 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 :: 117.8460 Ave N Shift Values>> N :: 120.67(3.48) 1.T59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.1110 CA :: 62.3510 CB :: 70.0480 CG2 :: 21.1030 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 :: 7.7430 HA :: 4.3930 HB :: 4.2230 HG21 :: 1.0490 HG22 :: 1.0490 HG23 :: 1.0490 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 :: 106.9300 Ave N Shift Values>> N :: 115.42(4.75) 1.N60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 L 0.19 F 0.18 Y 0.15 N 0.1 K 0.05 I 0.01 C Shift Assignments>> CA :: 55.4490 CB :: 40.5040 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 :: 7.4990 HA :: 4.7220 HB2 :: 3.1260 HB3 :: 2.9430 HD21 :: 7.3650 HD22 :: 7.2010 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 :: 121.6730 ND2 :: 112.6430 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.S61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> CA :: 60.6270 CB :: 63.0310 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 4.2863 HB2 :: 4.0115 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) 1.K62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> K 0.89 R 0.09 G 0.01 C Shift Assignments>> C :: 175.5230 CA :: 59.6500 CB :: 32.1350 CG :: 24.8390 CD :: 29.5410 CE :: 41.8820 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>> HA :: 3.7700 HB2 :: 2.1200 HB3 :: 2.0410 HG2 :: 1.4617 HE2 :: 2.9687 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) 1.K63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.61 R 0.36 G 0.01 C Shift Assignments>> C :: 177.0150 CA :: 56.4200 CB :: 29.8860 CG :: 25.3010 CD :: 29.0890 CE :: 42.1600 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 :: 8.1250 HA :: 4.2450 HB2 :: 1.8290 HB3 :: 1.7280 HG2 :: 1.4190 HD2 :: 1.6800 HE2 :: 2.9790 HE3 :: 2.9250 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.0810 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.75 K 0.18 G 0.05 C Shift Assignments>> C :: 176.1210 CA :: 57.5500 CB :: 30.2860 CG :: 27.4790 CD :: 42.8830 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 :: 7.7580 HA :: 3.7440 HG2 :: 1.2380 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 :: 116.6920 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.F65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.43 F 0.35 Y 0.2 C Shift Assignments>> CA :: 54.6650 CB :: 43.6900 CD1 :: 131.7090 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 :: 7.8310 HA :: 5.3950 HB2 :: 2.7690 HB3 :: 2.8590 HD1 :: 6.8630 HE1 :: 6.9890 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 115.2570 Ave N Shift Values>> N :: 120.45(4.18) 1.A66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.65 A 0.26 K 0.06 C Shift Assignments>> C :: 175.6420 CA :: 51.4560 CB :: 23.1630 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.7380 HA :: 4.6400 HB1 :: 1.3460 HB2 :: 1.3460 HB3 :: 1.3460 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.0890 Ave N Shift Values>> N :: 123.23(3.54) 1.F67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.51 Y 0.37 G 0.11 HN Overlap>> 1.K54 1.K54 C Shift Assignments>> C :: 177.7880 CA :: 57.2750 CB :: 43.3210 CD1 :: 132.7370 CE1 :: 131.1860 CZ :: 128.7230 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 :: 8.8160 HA :: 5.9130 HB2 :: 3.3510 HB3 :: 2.7190 HD1 :: 7.6080 HE1 :: 7.4370 HZ :: 6.9520 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 :: 117.4840 Ave N Shift Values>> N :: 120.45(4.18) 1.S68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 57.6600 CB :: 63.7690 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.6120 HA :: 4.2800 HB2 :: 3.7960 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 :: 115.0140 Ave N Shift Values>> N :: 116.28(3.52) 1.E69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> E 0.51 I 0.24 K 0.14 Q 0.07 M 0.01 C Shift Assignments>> CA :: 58.8750 CB :: 28.8750 CG :: 36.1600 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> HA :: 3.7918 HB2 :: 1.9370 HG2 :: 2.2278 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) 1.N70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.7 D 0.07 Y 0.06 F 0.05 E 0.03 M 0.03 L 0.01 C Shift Assignments>> C :: 175.1800 CA :: 52.6510 CB :: 37.5770 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 :: 4.4510 HB2 :: 3.0520 HB3 :: 2.9020 HD21 :: 6.9210 HD22 :: 7.7185 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 :: 112.6847 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.F71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.52 F 0.46 C Shift Assignments>> C :: 174.2470 CA :: 60.5580 CB :: 35.5440 CD1 :: 131.3510 CE1 :: 131.7540 CZ :: 129.6310 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 :: 7.8490 HA :: 3.5270 HB2 :: 2.7950 HB3 :: 3.1560 HD1 :: 6.1770 HE1 :: 7.1970 HZ :: 7.2670 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 :: 110.5210 Ave N Shift Values>> N :: 120.45(4.18) 1.E72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.67 M 0.13 I 0.1 K 0.04 Q 0.03 C Shift Assignments>> C :: 177.9210 CA :: 58.3630 CB :: 30.6270 CG :: 36.5490 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 :: 7.5800 HA :: 4.2510 HB2 :: 2.0680 HB3 :: 1.9650 HG2 :: 2.2580 HG3 :: 2.3780 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 :: 115.5550 Ave N Shift Values>> N :: 120.67(3.48) 1.K73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.65 K 0.31 G 0.03 C Shift Assignments>> C :: 173.7300 CA :: 54.5580 CB :: 37.5620 CG :: 25.4150 CD :: 29.3710 CE :: 42.0060 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 :: 8.2070 HA :: 5.6520 HB2 :: 1.9370 HB3 :: 1.3500 HG2 :: 1.2120 HG3 :: 1.1680 HD2 :: 1.1910 HD3 :: 1.3970 HE2 :: 2.6650 HE3 :: 2.5120 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.4470 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.92 G 0.06 C Shift Assignments>> C :: 171.6960 CA :: 58.8450 CB :: 42.2040 CG1 :: 27.8820 CG2 :: 15.6170 CD1 :: 14.3360 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.5940 HA :: 5.8780 HB :: 1.6540 HG12 :: 1.2800 HG13 :: 0.8340 HG21 :: 0.8990 HG22 :: 0.8990 HG23 :: 0.8990 HD11 :: 0.1970 HD12 :: 0.1970 HD13 :: 0.1970 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 :: 120.3960 Ave N Shift Values>> N :: 121.46(4.28) 1.R75 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.45 K 0.4 A 0.12 R 0.01 C Shift Assignments>> C :: 174.4330 CA :: 53.7270 CB :: 34.6280 CG :: 23.7080 CD :: 43.3221 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.7530 HA :: 4.9460 HB2 :: 1.1150 HB3 :: 0.8000(S) HG2 :: 0.4770(S) HG3 :: 0.2060(S) HE :: 6.2260 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 121.6490 NE :: 84.5880 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.A76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.96 M 0.02 C Shift Assignments>> C :: 176.8240 CA :: 50.4710 CB :: 19.7170 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.8610 HA :: 4.8530 HB1 :: 1.1440 HB2 :: 1.1440 HB3 :: 1.1440 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.8230 Ave N Shift Values>> N :: 123.23(3.54) 1.N77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.56 D 0.23 F 0.06 L 0.06 Y 0.06 C Shift Assignments>> C :: 175.3150 CA :: 52.7020 CB :: 39.1890 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 :: 8.1650 HA :: 4.4660 HB2 :: 2.6640 HB3 :: 2.2790 HD21 :: 7.4340 HD22 :: 6.6420 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 :: 120.9920 ND2 :: 112.4860 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Q78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.4 K 0.37 M 0.1 E 0.06 R 0.04 HN Overlap>> 1.D157 1.D157 C Shift Assignments>> C :: 176.0140 CA :: 55.9270 CB :: 29.4330 CG :: 33.5040 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 :: 8.4500 HA :: 4.1920 HB2 :: 2.0650 HB3 :: 1.8440 HG2 :: 2.2060 HG3 :: 2.2230 HE21 :: 7.5530 HE22 :: 6.8420 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 121.2390 NE2 :: 112.6380 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.82 L 0.12 R 0.02 F 0.01 C Shift Assignments>> C :: 173.7030 CA :: 45.1330 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.3850 HA2 :: 3.8480 HA3 :: 3.7810 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.3230 Ave N Shift Values>> N :: 109.67(3.87) 1.H80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.51 W 0.48 C Shift Assignments>> C :: 175.2790 CA :: 56.1720 CB :: 30.7840 CD2 :: 119.6660 CE1 :: 138.0300 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.2050 HA :: 4.6250 HB2 :: 3.0150 HB3 :: 3.1130 HD2 :: 7.0140 HE1 :: 8.0330 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 119.1890 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.S81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.4400 CA :: 58.1550 CB :: 63.8030 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.3410 HA :: 4.4660 HB2 :: 3.8120 HB3 :: 3.8240 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 117.3920 Ave N Shift Values>> N :: 116.28(3.52) 1.V82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 176.1220 CA :: 62.5210 CB :: 32.5380 CG1 :: 21.1160 CG2 :: 20.4270 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 :: 8.2470 HA :: 4.0910 HB :: 2.0580 HG11 :: 0.8740 HG12 :: 0.8740 HG13 :: 0.8740 HG21 :: 0.8690 HG22 :: 0.8690 HG23 :: 0.8690 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 :: 121.6800 Ave N Shift Values>> N :: 121.14(4.54) 1.E83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.62 M 0.11 K 0.11 Q 0.08 I 0.05 HN Overlap>> 1.V143 1.V143 C Shift Assignments>> C :: 176.4990 CA :: 56.9010 CB :: 30.0520 CG :: 36.3040 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 :: 8.4760 HA :: 4.2280 HB2 :: 1.8430 HB3 :: 1.9600 HG2 :: 2.1450 HG3 :: 2.1760 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 124.0390 Ave N Shift Values>> N :: 120.67(3.48) 1.V84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.H46 1.H46 C Shift Assignments>> C :: 175.7580 CA :: 62.3460 CB :: 32.9140 CG1 :: 20.4770 CG2 :: 21.0980 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 :: 8.0660 HA :: 4.0380 HB :: 2.0000 HG11 :: 0.8680 HG12 :: 0.8680 HG13 :: 0.8680 HG21 :: 0.8420 HG22 :: 0.8420 HG23 :: 0.8420 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 :: 120.6170 Ave N Shift Values>> N :: 121.14(4.54) 1.D85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 L 0.23 N 0.12 K 0.1 F 0.1 Y 0.07 R 0.01 C Shift Assignments>> C :: 176.2240 CA :: 54.2370 CB :: 41.0990 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 :: 8.3480 HA :: 4.5650 HB2 :: 2.6860 HB3 :: 2.5700 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 123.7630 Ave N Shift Values>> N :: 120.65(3.86) 1.L86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.88 A 0.05 R 0.04 G 0.01 C Shift Assignments>> C :: 177.7970 CA :: 55.2500 CB :: 42.1250 CG :: 26.7440 CD1 :: 25.1420 CD2 :: 22.8960 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 :: 8.2660 HA :: 4.1800 HB2 :: 1.2370 HB3 :: 1.3800 HG :: 1.5180 HD11 :: 0.7910 HD12 :: 0.7910 HD13 :: 0.7910 HD21 :: 0.7410 HD22 :: 0.7410 HD23 :: 0.7410 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 :: 122.9020 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>> G 0.88 L 0.08 HN Overlap>> 1.G150 1.G150 C Shift Assignments>> C :: 173.1380 CA :: 45.5220 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.2890 HA2 :: 3.8240 HA3 :: 3.8780 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.6170 Ave N Shift Values>> N :: 109.67(3.87) 1.Y88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 174.1400 CA :: 55.5590 CB :: 39.7000 CD1 :: 133.3880 CE1 :: 117.5210 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 :: 7.3070 HA :: 4.9590 HB2 :: 2.4450 HB3 :: 2.7480 HD1 :: 6.5970 HE1 :: 6.3890 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 116.1470 Ave N Shift Values>> N :: 120.52(4.2) 1.E89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.67 E 0.27 Q 0.04 C Shift Assignments>> C :: 175.2070 CA :: 54.7720 CB :: 33.2910 CG :: 35.8140 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 :: 8.1170 HA :: 4.7920 HB2 :: 2.0800 HB3 :: 1.9650 HG2 :: 2.2980 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 :: 118.1950 Ave N Shift Values>> N :: 120.67(3.48) 1.K90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.51 R 0.47 G 0.01 C Shift Assignments>> C :: 176.6260 CA :: 57.3920 CB :: 32.7210 CG :: 25.1730 CD :: 27.1190 CE :: 42.1600 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 :: 9.1020 HA :: 4.5120 HB2 :: 1.7330 HG2 :: 1.3540 HG3 :: 1.3220 HD2 :: 1.5840 HD3 :: 1.4480 HE2 :: 2.8100 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 127.3470 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.84 Q 0.12 E 0.03 C Shift Assignments>> C :: 174.6890 CA :: 54.4740 CB :: 33.7320 CG :: 33.8480 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 :: 8.3990 HA :: 4.7610 HB2 :: 1.9000 HB3 :: 1.8060 HG2 :: 2.4380 HG3 :: 2.4050 HE21 :: 7.4520 HE22 :: 6.8430 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 :: 125.3710 NE2 :: 111.5370 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.V92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 174.1630 CA :: 60.4120 CB :: 32.7450 CG1 :: 20.4870 CG2 :: 21.5030 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 :: 8.6060 HA :: 4.2000 HB :: 1.9900 HG11 :: 0.9390 HG12 :: 0.9390 HG13 :: 0.9390 HG21 :: 1.0430 HG22 :: 1.0430 HG23 :: 1.0430 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 124.8980 Ave N Shift Values>> N :: 121.14(4.54) 1.P93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> CA :: 61.5118 CB :: 30.9427 CG :: 27.4489 CD :: 50.5870 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 :: 4.6824 HB2 :: 2.3463 HB3 :: 1.8813 HG2 :: 2.0068 HD2 :: 3.6387 HD3 :: 3.8127 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.P94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 173.5690 CA :: 61.7110 CB :: 31.6000 CG :: 27.1790 CD :: 49.3740 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 :: 2.2330 HB3 :: 1.7210 HG2 :: 1.4680 HD2 :: 2.9690 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.A95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.54 M 0.41 I 0.02 C Shift Assignments>> C :: 178.8590 CA :: 54.8130 CB :: 18.6260 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.8570 HA :: 3.7540 HB1 :: 1.3630 HB2 :: 1.3630 HB3 :: 1.3630 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 116.2900 Ave N Shift Values>> N :: 123.23(3.54) 1.V96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 174.1380 CA :: 60.1880 CB :: 34.7680 CG1 :: 21.2950 CG2 :: 21.7230 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 :: 7.4110 HA :: 4.5840 HB :: 1.6170 HG11 :: 0.7490 HG12 :: 0.7490 HG13 :: 0.7490 HG21 :: 0.4330 HG22 :: 0.4330 HG23 :: 0.4330 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 115.6480 Ave N Shift Values>> N :: 121.14(4.54) 1.L97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.8 R 0.07 A 0.07 G 0.05 C Shift Assignments>> CA :: 52.0780 CB :: 42.4800 CG :: 26.7280 CD1 :: 26.5880 CD2 :: 23.4710 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.6720 HA :: 4.3510 HB2 :: 1.3220 HB3 :: 1.4780 HG :: 1.4660 HD11 :: 0.0380 HD12 :: 0.0380 HD13 :: 0.0380 HD21 :: 0.2480 HD22 :: 0.2480 HD23 :: 0.2480 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 :: 123.4730 Ave N Shift Values>> N :: 121.86(3.9) 1.F98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.37 L 0.27 F 0.09 K 0.07 D 0.06 Y 0.05 G 0.05 C Shift Assignments>> C :: 175.0740 CA :: 56.8810 CB :: 43.3880 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 :: 8.7300 HA :: 5.6450 HB2 :: 3.1160 HE2 :: 7.2700 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 :: 114.9380 Ave N Shift Values>> N :: 120.45(4.18) 1.H99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.5 H 0.46 Y 0.02 C Shift Assignments>> CA :: 58.0960 CD2 :: 120.6660 CE1 :: 138.0110 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> HA :: 4.5180 HB2 :: 3.0422 HB3 :: 2.9442 HD2 :: 7.0056 HE1 :: 7.9156 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 121.1800 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.G100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.31 R 0.29 G 0.26 F 0.04 D 0.04 Y 0.02 C Shift Assignments>> C :: 170.9840 CA :: 43.9920 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.2800 HA2 :: 4.8200 HA3 :: 4.6280 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.7372 Ave N Shift Values>> N :: 109.67(3.87) 1.T101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.57 A 0.4 S 0.02 C Shift Assignments>> CA :: 59.1890 CB :: 69.5750 CG2 :: 18.1070 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 :: 8.4860 HA :: 4.4240 HB :: 4.2470 HG21 :: 1.1200 HG22 :: 1.1200 HG23 :: 1.1200 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 118.3830 Ave N Shift Values>> N :: 115.42(4.75) 1.A102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.95 M 0.02 L 0.01 C Shift Assignments>> CA :: 51.2200 CB :: 20.1860 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.9830 HA :: 4.7830 HB1 :: 1.4550 HB2 :: 1.4550 HB3 :: 1.4550 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.3050 Ave N Shift Values>> N :: 123.23(3.54) 1.E103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.53 I 0.3 K 0.08 Q 0.04 M 0.02 C Shift Assignments>> C :: 178.6230 CA :: 59.9230 CB :: 29.6740 CG :: 36.2710 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 :: 9.2020 HA :: 3.8630 HB2 :: 2.0380 HG2 :: 2.2080 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 123.7560 Ave N Shift Values>> N :: 120.67(3.48) 1.K104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.68 R 0.29 G 0.01 C Shift Assignments>> C :: 176.7100 CA :: 58.2380 CB :: 31.6150 CG :: 23.9190 CD :: 28.9740 CE :: 42.1550 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 :: 8.3650 HA :: 4.3330 HB2 :: 1.9370 HB3 :: 1.8530 HG2 :: 1.3620 HG3 :: 1.4360 HD2 :: 1.7570 HD3 :: 1.9870 HE2 :: 3.0130 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 :: 116.8500 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.4 D 0.29 L 0.1 F 0.09 Y 0.08 C Shift Assignments>> C :: 175.6210 CA :: 53.4720 CB :: 39.6500 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 :: 8.1450 HA :: 3.6250 HB2 :: 3.1440 HB3 :: 2.9740 HD21 :: 8.1703 HD22 :: 7.2348 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 116.8140 ND2 :: 114.2904 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.F106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.55 Y 0.43 C Shift Assignments>> C :: 175.0900 CA :: 62.3710 CB :: 40.2510 CD1 :: 131.4840 CE1 :: 131.5540 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 :: 7.8930 HA :: 4.0520 HB2 :: 3.1900 HB3 :: 3.2580 HD1 :: 7.3580 HE1 :: 7.2250 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 121.1180 Ave N Shift Values>> N :: 120.45(4.18) 1.D107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.32 Y 0.3 L 0.11 D 0.1 I 0.08 K 0.03 N 0.02 HN Overlap>> 1.I114 1.I114 C Shift Assignments>> C :: 178.9110 CA :: 57.6030 CB :: 40.2090 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.5960 HA :: 4.0730 HB2 :: 2.5590 HB3 :: 2.5380 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 :: 116.9510 Ave N Shift Values>> N :: 120.65(3.86) 1.L108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.97 R 0.02 HN Overlap>> 1.K42 1.K42 C Shift Assignments>> C :: 179.2590 CA :: 57.6000 CB :: 41.6870 CG :: 26.9880 CD1 :: 24.6470 CD2 :: 24.5390 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 :: 7.8400 HA :: 4.1600 HB2 :: 1.8030 HB3 :: 1.7490 HG :: 1.7580 HD11 :: 0.9820 HD12 :: 0.9820 HD13 :: 0.9820 HD21 :: 0.9320 HD22 :: 0.9320 HD23 :: 0.9320 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.0770 Ave N Shift Values>> N :: 121.86(3.9) 1.I109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.V5 1.L21 1.V5 1.L21 C Shift Assignments>> C :: 177.8960 CA :: 64.1420 CB :: 37.6470 CG1 :: 29.4210 CG2 :: 18.9910 CD1 :: 14.9750 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 :: 7.8120 HA :: 3.8520 HB :: 1.7700 HG12 :: 1.7260 HG21 :: 0.6200 HG22 :: 0.6200 HG23 :: 0.6200 HD11 :: 0.9300 HD12 :: 0.9300 HD13 :: 0.9300 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 121.3630 Ave N Shift Values>> N :: 121.46(4.28) 1.L110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.96 A 0.02 C Shift Assignments>> C :: 178.1220 CA :: 56.8340 CB :: 40.8300 CG :: 27.0830 CD1 :: 24.9690 CD2 :: 22.6730 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 :: 7.6290 HA :: 3.8540 HB2 :: 1.5510 HB3 :: 1.3870 HG :: 1.4090 HD11 :: 0.5870 HD12 :: 0.5870 HD13 :: 0.5870 HD21 :: 0.5770 HD22 :: 0.5770 HD23 :: 0.5770 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 :: 117.3390 Ave N Shift Values>> N :: 121.86(3.9) 1.K111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.85 R 0.13 G 0.01 C Shift Assignments>> C :: 177.6250 CA :: 58.0110 CB :: 33.7700 CG :: 24.4540 CD :: 28.7960 CE :: 41.9910 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 :: 7.1880 HA :: 4.2260 HB2 :: 1.8720 HB3 :: 1.8200 HG2 :: 1.4780 HD2 :: 1.6660 HD3 :: 1.6170 HE2 :: 2.9270 HE3 :: 2.9180 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 115.4210 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.32 R 0.27 D 0.14 K 0.1 F 0.06 Y 0.04 G 0.02 C Shift Assignments>> C :: 177.7640 CA :: 55.2710 CB :: 43.0040 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 :: 8.5520 HA :: 4.8730 HB2 :: 2.7080 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 117.1360 Ave N Shift Values>> N :: 120.65(3.86) 1.G113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.31 R 0.28 G 0.27 F 0.04 D 0.04 Y 0.02 C Shift Assignments>> C :: 172.3950 CA :: 44.0110 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.7860 HA2 :: 3.4360 HA3 :: 3.7310 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.1400 Ave N Shift Values>> N :: 109.67(3.87) 1.I114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.D107 1.D107 C Shift Assignments>> CA :: 61.6250 CB :: 37.9350 CG1 :: 27.5030 CG2 :: 20.4330 CD1 :: 12.6810 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.6260 HA :: 3.9670 HB :: 1.2750 HG12 :: 1.4850 HG13 :: 1.4850 HG21 :: 0.3110 HG22 :: 0.3110 HG23 :: 0.3110 HD11 :: 0.2060 HD12 :: 0.2060 HD13 :: 0.2060 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 :: 116.8850 Ave N Shift Values>> N :: 121.46(4.28) 1.K115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.92 R 0.05 G 0.01 C Shift Assignments>> C :: 177.6100 CA :: 54.5150 CB :: 35.2470 CG :: 25.7900 CE :: 41.8200 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 :: 7.9550 HA :: 5.1000 HB2 :: 2.0710 HE2 :: 2.9090 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 124.5910 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.12 F 0.1 Y 0.1 E 0.1 K 0.08 R 0.08 S 0.07 H 0.07 Q 0.07 M 0.05 L 0.03 I 0.01 D 0.01 V 0.01 T 0.01 C Shift Assignments>> C :: 176.8070 CA :: 57.7270 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 :: 9.2560 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 :: 121.1800 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.M117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> M 0.79 A 0.12 I 0.08 C Shift Assignments>> C :: 176.0580 CA :: 56.0950 CE :: 16.7250 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>> HE1 :: 2.1160 HE2 :: 2.1160 HE3 :: 2.1160 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) 1.S118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 59.2020 CB :: 63.3640 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.1640 HA :: 4.4300 HB2 :: 3.9130 HB3 :: 4.0240 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.3830 Ave N Shift Values>> N :: 116.28(3.52) 1.R119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.18 R 0.17 H 0.17 K 0.12 W 0.12 E 0.11 Q 0.09 C Shift Assignments>> CA :: 55.5170 CB :: 31.3400 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 :: 7.9560 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.0730 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.H120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.5 H 0.49 C Shift Assignments>> CA :: 57.8000 CB :: 30.7000 CD2 :: 120.5200 CE1 :: 137.7710 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 9.4091 HD2 :: 7.0100 HE1 :: 7.9582 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 120.7806 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.H121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.6 Y 0.25 H 0.08 W 0.05 C Shift Assignments>> CA :: 56.7600 CB :: 36.1000 CE1 :: 138.6540 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 7.7281 HE1 :: 7.7501 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 113.4309 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.V122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 64.1000 CG1 :: 23.4610 CG2 :: 23.0770 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.1255 HG11 :: 0.7870 HG12 :: 0.7870 HG13 :: 0.7870 HG21 :: 0.8060 HG22 :: 0.8060 HG23 :: 0.8060 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.7442 Ave N Shift Values>> N :: 121.14(4.54) 1.H123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.15 L 0.12 M 0.1 H 0.08 N 0.08 Q 0.07 R 0.07 A 0.06 K 0.06 W 0.04 E 0.04 F 0.03 Y 0.03 S 0.01 C Shift Assignments>> CA :: 54.9000 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.8560 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 125.8245 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.L124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.99 C Shift Assignments>> CD1 :: 25.1110 CD2 :: 24.8170 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 :: 10.0858 HD11 :: 0.8830 HD12 :: 0.8830 HD13 :: 0.8830 HD21 :: 0.8570 HD22 :: 0.8570 HD23 :: 0.8570 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 :: 126.0402 Ave N Shift Values>> N :: 121.86(3.9) 1.S125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.88 T 0.11 C Shift Assignments>> C :: 174.2920 CA :: 57.1340 CB :: 66.4600 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 5.5010 HB2 :: 4.1860 HB3 :: 3.8450 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) 1.Q126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.36 K 0.28 E 0.21 M 0.1 R 0.01 I 0.01 C Shift Assignments>> C :: 174.4740 CA :: 57.0350 CB :: 29.7400 CG :: 34.3850 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 9.6230 HA :: 4.5830 HB2 :: 2.4100 HB3 :: 2.3410 HG2 :: 2.7140 HG3 :: 2.6350 HE21 :: 7.9010 HE22 :: 7.1460 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 121.4120 NE2 :: 112.4140 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.D127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.41 L 0.28 R 0.14 D 0.11 F 0.01 C Shift Assignments>> C :: 175.2160 CA :: 52.2580 CB :: 43.9340 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 :: 7.8660 HA :: 4.9970 HB2 :: 2.7810 HB3 :: 2.8750 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 115.5020 Ave N Shift Values>> N :: 120.65(3.86) 1.I128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 176.7630 CA :: 65.0500 CB :: 38.0160 CG1 :: 29.0440 CG2 :: 16.6520 CD1 :: 13.4030 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 :: 8.2710 HA :: 3.0660 HB :: 1.1340 HG12 :: 0.6020 HG13 :: 0.4020 HG21 :: 0.6250 HG22 :: 0.6250 HG23 :: 0.6250 HD11 :: 0.5790 HD12 :: 0.5790 HD13 :: 0.5790 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 122.7480 Ave N Shift Values>> N :: 121.46(4.28) 1.T129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 66.4670 CB :: 68.1220 CG2 :: 21.8060 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 :: 7.9370 HA :: 3.7940 HB :: 4.1640 HG21 :: 1.2100 HG22 :: 1.2100 HG23 :: 1.2100 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 117.2350 Ave N Shift Values>> N :: 115.42(4.75) 1.T130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> 1.V57 1.V57 C Shift Assignments>> CA :: 66.7820 CB :: 68.2310 CG2 :: 21.8280 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 :: 8.2860 HA :: 3.8410 HB :: 4.2310 HG21 :: 1.3690 HG22 :: 1.3690 HG23 :: 1.3690 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 119.4880 Ave N Shift Values>> N :: 115.42(4.75) 1.A131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.64 M 0.29 L 0.01 I 0.01 V 0.01 C Shift Assignments>> C :: 179.2610 CA :: 54.8680 CB :: 19.3180 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.4510 HA :: 4.2090 HB1 :: 1.3690 HB2 :: 1.3690 HB3 :: 1.3690 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.8560 Ave N Shift Values>> N :: 123.23(3.54) 1.R132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.64 G 0.2 K 0.14 HN Overlap>> 1.A28 1.A28 C Shift Assignments>> C :: 177.4490 CA :: 60.3030 CB :: 29.7220 CG :: 28.7020 CD :: 43.2760 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.4600 HA :: 3.8220 HG2 :: 1.5280 HD2 :: 3.1620 HE :: 7.2565 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 118.9830 NE :: 84.3650 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.K133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.83 R 0.15 C Shift Assignments>> C :: 179.5240 CA :: 59.4380 CB :: 32.2110 CG :: 25.5110 CD :: 29.4700 CE :: 41.7010 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 :: 7.4910 HA :: 4.0290 HB2 :: 1.9680 HG2 :: 1.6880 HG3 :: 1.4490 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 :: 117.9370 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 179.4980 CA :: 66.1130 CB :: 31.8490 CG1 :: 21.3260 CG2 :: 22.1880 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 :: 7.9710 HA :: 3.6340 HB :: 2.2190 HG11 :: 0.9570 HG12 :: 0.9570 HG13 :: 0.9570 HG21 :: 1.0550 HG22 :: 1.0550 HG23 :: 1.0550 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.9100 Ave N Shift Values>> N :: 121.14(4.54) 1.G135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.05 A 0.01 HN Overlap>> 1.G150 1.G150 C Shift Assignments>> C :: 174.6580 CA :: 47.1280 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.3570 HA2 :: 3.5100 HA3 :: 3.4430 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.5250 Ave N Shift Values>> N :: 109.67(3.87) 1.M136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.91 A 0.07 C Shift Assignments>> CA :: 56.8240 CB :: 33.0360 CG :: 31.8390 CE :: 16.8210 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 :: 7.9100 HA :: 4.6870 HB2 :: 2.1300 HB3 :: 2.2120 HG2 :: 2.7130 HG3 :: 2.0500 HE1 :: 2.1000 HE2 :: 2.1000 HE3 :: 2.1000 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 :: 117.4230 Ave N Shift Values>> N :: 120.09(3.57) 1.R137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.79 G 0.14 K 0.04 L 0.01 C Shift Assignments>> C :: 177.3000 CA :: 58.4650 CB :: 29.9200 CG :: 27.1750 CD :: 43.5030 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 :: 7.4360 HA :: 3.9660 HB2 :: 1.6350 HB3 :: 1.5550 HG2 :: 1.6360 HD2 :: 3.1600 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 118.4100 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.H138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.55 W 0.44 C Shift Assignments>> C :: 174.8990 CA :: 55.6010 CB :: 31.7480 CE1 :: 138.0290 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 7.9410 HA :: 4.7890 HB2 :: 2.9470 HB3 :: 3.3400 HE1 :: 7.9179 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 114.2970 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.G139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.1 R 0.01 F 0.01 C Shift Assignments>> C :: 171.5600 CA :: 45.2650 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.5490 HA2 :: 4.3180 HA3 :: 4.3570 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.5770 Ave N Shift Values>> N :: 109.67(3.87) 1.K140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.77 R 0.2 G 0.01 C Shift Assignments>> C :: 175.3350 CA :: 54.2370 CB :: 32.3620 CG :: 24.8080 CD :: 29.0770 CE :: 42.2000 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 :: 8.5200 HA :: 4.5650 HB2 :: 1.8320 HG2 :: 1.5600 HG3 :: 1.4140 HD2 :: 1.6830 HE2 :: 3.0290 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 125.1100 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.2830 CA :: 63.0230 CB :: 31.8540 CG :: 27.4790 CD :: 50.4460 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 :: 4.3780 HB2 :: 2.2970 HB3 :: 1.9020 HG2 :: 2.0280 HD2 :: 3.8180 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.V142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 61.6620 CB :: 34.9600 CG1 :: 20.9410 CG2 :: 21.1050 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 :: 8.9450 HA :: 4.2900 HB :: 1.8340 HG11 :: 0.7100 HG12 :: 0.7100 HG13 :: 0.7100 HG21 :: 0.7980 HG22 :: 0.7980 HG23 :: 0.7980 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 :: 120.0780 Ave N Shift Values>> N :: 121.14(4.54) 1.V143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.E83 1.E83 C Shift Assignments>> C :: 175.4340 CA :: 61.3820 CB :: 33.2050 CG1 :: 22.9930 CG2 :: 20.9580 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 :: 8.4240 HA :: 4.7080 HB :: 1.9610 HG11 :: 0.8870 HG12 :: 0.8870 HG13 :: 0.8870 HG21 :: 0.7730 HG22 :: 0.7730 HG23 :: 0.7730 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 124.1180 Ave N Shift Values>> N :: 121.14(4.54) 1.L144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.73 G 0.16 K 0.05 R 0.03 C Shift Assignments>> CA :: 53.5300 CB :: 43.3130 CD1 :: 26.6530 CD2 :: 24.7660 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.2790 HA :: 4.1034 HB2 :: 1.5885 HB3 :: 1.7991 HG :: 1.8380 HD11 :: 0.9730 HD12 :: 0.9730 HD13 :: 0.9730 HD21 :: 0.9180 HD22 :: 0.9180 HD23 :: 0.9180 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 128.8040 Ave N Shift Values>> N :: 121.86(3.9) 1.S145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 58.0140 CB :: 64.6010 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.0410 HA :: 4.8840 HB2 :: 3.8380 HB3 :: 3.8270 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 118.4970 Ave N Shift Values>> N :: 116.28(3.52) 1.V146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.6400 CA :: 60.6960 CB :: 34.6030 CG1 :: 21.5550 CG2 :: 21.1530 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.0570 HA :: 4.5210 HB :: 1.5160 HG11 :: 0.5820 HG12 :: 0.5820 HG13 :: 0.5820 HG21 :: 0.6170 HG22 :: 0.6170 HG23 :: 0.6170 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 :: 123.6560 Ave N Shift Values>> N :: 121.14(4.54) 1.D147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.57 D 0.24 L 0.06 F 0.05 Y 0.05 C Shift Assignments>> CA :: 52.2700 CB :: 39.3200 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 9.0080 HA :: 4.8150 HB2 :: 3.1300 HB3 :: 2.4970 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 :: 125.8370 Ave N Shift Values>> N :: 120.65(3.86) 1.A148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.56 M 0.41 I 0.01 C Shift Assignments>> C :: 178.3480 CA :: 54.1360 CB :: 18.0300 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.9240 HA :: 3.6880 HB1 :: 0.6540 HB2 :: 0.6540 HB3 :: 0.6540 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 132.0740 Ave N Shift Values>> N :: 123.23(3.54) 1.K149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.75 R 0.09 V 0.09 Q 0.03 C Shift Assignments>> C :: 178.0540 CA :: 59.3700 CB :: 32.6820 CG :: 24.8330 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 :: 8.0760 HA :: 3.8970 HB2 :: 1.7600 HG2 :: 1.3430 HD2 :: 1.5380 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.0650 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G150 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.89 L 0.04 A 0.02 P 0.01 HN Overlap>> 1.G87 1.G87 1.G135 1.G135 C Shift Assignments>> C :: 177.7490 CA :: 47.3330 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.3160 HA2 :: 3.8620 HA3 :: 3.9040 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.5540 Ave N Shift Values>> N :: 109.67(3.87) 1.M151 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.99 C Shift Assignments>> C :: 178.3470 CA :: 59.6740 CB :: 31.9590 CG :: 31.9160 CE :: 16.8660 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 :: 7.5860 HA :: 3.2900 HB2 :: 2.1080 HB3 :: 2.0060 HE1 :: 0.9160 HE2 :: 0.9160 HE3 :: 0.9160 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 :: 121.2640 Ave N Shift Values>> N :: 120.09(3.57) 1.A152 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.65 A 0.29 I 0.04 C Shift Assignments>> CA :: 55.3540 CB :: 17.6360 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.1630 HA :: 4.5750 HB1 :: 1.4940 HB2 :: 1.4940 HB3 :: 1.4940 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.6530 Ave N Shift Values>> N :: 123.23(3.54) 1.D153 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.28 Y 0.27 D 0.16 L 0.13 N 0.05 I 0.05 K 0.02 C Shift Assignments>> C :: 177.5790 CA :: 56.7600 CB :: 40.0070 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 :: 8.9180 HA :: 4.4560 HB2 :: 2.8410 HB3 :: 2.7610 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 :: 120.7330 Ave N Shift Values>> N :: 120.65(3.86) 1.G154 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 L 0.14 R 0.03 F 0.01 D 0.01 HN Overlap>> 1.G155 1.G155 C Shift Assignments>> C :: 174.4610 CA :: 45.0190 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.7710 HA2 :: 3.7700 HA3 :: 4.4500 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.7710 Ave N Shift Values>> N :: 109.67(3.87) 1.G155 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.09 R 0.01 HN Overlap>> 1.G154 1.G154 C Shift Assignments>> C :: 174.5310 CA :: 45.3700 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.7620 HA2 :: 3.9510 HA3 :: 3.9380 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.7640 Ave N Shift Values>> N :: 109.67(3.87) 1.F156 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.5 F 0.49 HN Overlap>> 1.I48 1.I48 C Shift Assignments>> C :: 174.8210 CA :: 58.9010 CB :: 39.0770 CD1 :: 132.2580 CE1 :: 130.6700 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 :: 8.0900 HA :: 4.2890 HB2 :: 2.5010 HB3 :: 2.4360 HD1 :: 7.4870 HE1 :: 7.3400 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 119.5260 Ave N Shift Values>> N :: 120.45(4.18) 1.D157 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.33 D 0.21 R 0.2 K 0.11 F 0.05 Y 0.03 G 0.02 N 0.02 HN Overlap>> 1.Q78 1.Q78 C Shift Assignments>> C :: 173.2300 CA :: 54.1700 CB :: 42.7550 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 :: 8.4490 HA :: 4.8040 HB2 :: 2.5610 HB3 :: 2.1640 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 :: 121.2780 Ave N Shift Values>> N :: 120.65(3.86) 1.F158 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.27 L 0.24 K 0.17 F 0.11 D 0.08 Y 0.07 G 0.01 C Shift Assignments>> CA :: 57.0040 CB :: 42.7460 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 :: 8.9070 HA :: 4.8790 HB2 :: 2.5630 HB3 :: 2.9030 HD1 :: 7.0790 HE1 :: 7.3480 HZ :: 6.7260 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 120.3040 Ave N Shift Values>> N :: 120.45(4.18) 1.Y159 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.98 G 0.01 C Shift Assignments>> C :: 173.2490 CA :: 55.1820 CB :: 41.7430 CD1 :: 133.0230 CE1 :: 118.0330 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.8120 HA :: 5.0570 HB2 :: 2.4720 HB3 :: 2.6510 HD1 :: 7.0650 HE1 :: 6.7960 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 116.2370 Ave N Shift Values>> N :: 120.52(4.2) 1.L160 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.78 G 0.16 L 0.03 R 0.01 C Shift Assignments>> CA :: 52.9740 CB :: 43.5220 CG :: 25.8340 CD1 :: 20.1530 CD2 :: 25.5690 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 :: 8.7040 HA :: 4.1390 HB2 :: 1.0760 HG :: 0.4500 HD11 :: -0.4470(S) HD12 :: -0.4470(S) HD13 :: -0.4470(S) HD21 :: 0.4490 HD22 :: 0.4490 HD23 :: 0.4490 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 :: 123.8720 Ave N Shift Values>> N :: 121.86(3.9) 1.S161 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.3760 CA :: 56.4570 CB :: 65.1250 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.0680 HA :: 4.8130 HB2 :: 4.0930 HB3 :: 3.7930 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 124.3370 Ave N Shift Values>> N :: 116.28(3.52) 1.N162 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.35 Y 0.19 F 0.15 D 0.09 E 0.09 M 0.04 L 0.03 I 0.02 C Shift Assignments>> C :: 175.3880 CA :: 55.0000 CB :: 37.8910 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 :: 8.5450 HA :: 4.4660 HB2 :: 2.8550 HD21 :: 7.7361 HD22 :: 7.0886 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 :: 120.0730 ND2 :: 112.6371 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.N163 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.71 D 0.1 Y 0.06 F 0.05 L 0.02 M 0.02 E 0.01 C Shift Assignments>> C :: 175.6970 CA :: 52.5540 CB :: 38.0000 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 :: 8.1130 HA :: 4.7770 HB2 :: 2.8650 HD21 :: 7.6081 HD22 :: 6.9356 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 115.1060 ND2 :: 112.5116 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G164 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.91 L 0.06 C Shift Assignments>> C :: 173.4510 CA :: 46.1540 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.0610 HA2 :: 4.1040 HA3 :: 3.5030 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.8120 Ave N Shift Values>> N :: 109.67(3.87) 1.V165 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 174.5640 CA :: 62.5110 CB :: 32.9210 CG1 :: 21.3950 CG2 :: 21.7960 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 :: 7.4150 HA :: 4.1400 HB :: 1.8790 HG11 :: 0.8900 HG12 :: 0.8900 HG13 :: 0.8900 HG21 :: 0.8730 HG22 :: 0.8730 HG23 :: 0.8730 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 :: 121.5440 Ave N Shift Values>> N :: 121.14(4.54) 1.W166 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.85 H 0.14 C Shift Assignments>> C :: 174.6130 CA :: 57.0620 CB :: 31.4140 CZ2 :: 115.0770 CH2 :: 124.8760 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.3970 HA :: 5.0410 HB2 :: 3.0200 HB3 :: 2.9480 HD1 :: 6.9880 HE1 :: 10.3990 HE3 :: 7.4440 HZ2 :: 7.4680 HZ3 :: 6.6750 HH2 :: 6.8840 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 127.9730 NE1 :: 128.2260 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.L167 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.83 A 0.13 L 0.02 C Shift Assignments>> CA :: 53.0890 CB :: 44.4210 CG :: 23.1050(S) CD1 :: 25.1290 CD2 :: 23.1620 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.7050 HA :: 5.4720 HB2 :: 1.2890 HB3 :: 1.2142 HG :: 0.3048(S) HD11 :: -0.0250 HD12 :: -0.0250 HD13 :: -0.0250 HD21 :: 0.2840 HD22 :: 0.2840 HD23 :: 0.2840 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 :: 122.2010 Ave N Shift Values>> N :: 121.86(3.9) 1.I168 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.95 A 0.04 C Shift Assignments>> CA :: 58.3220 CB :: 40.8350 CG1 :: 29.5650 CG2 :: 17.4700 CD1 :: 14.2840 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 :: 8.3140 HA :: 4.7720 HB :: 1.4260 HG12 :: 0.8440 HG13 :: 1.5190 HG21 :: 0.4820 HG22 :: 0.4820 HG23 :: 0.4820 HD11 :: -0.1600 HD12 :: -0.1600 HD13 :: -0.1600 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 :: 116.6470 Ave N Shift Values>> N :: 121.46(4.28) 1.D169 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.25 F 0.23 Y 0.17 R 0.12 L 0.1 I 0.06 D 0.02 C Shift Assignments>> CA :: 59.1890 CB :: 42.1010 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 :: 8.8800 HA :: 4.5430 HB2 :: 2.8760 HB3 :: 2.8330 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 :: 126.3550 Ave N Shift Values>> N :: 120.65(3.86) 1.F170 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.51 Y 0.47 G 0.01 C Shift Assignments>> C :: 173.1040 CA :: 56.2290 CB :: 42.1130 CD1 :: 131.7870 CE1 :: 131.9340 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 :: 7.2300 HA :: 4.8180 HB2 :: 2.9570 HB3 :: 3.5330 HD1 :: 7.2890 HE1 :: 7.2090 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 :: 114.6830 Ave N Shift Values>> N :: 120.45(4.18) 1.V171 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.97 A 0.02 C Shift Assignments>> C :: 177.7780 CA :: 58.1010 CB :: 33.7810 CG1 :: 21.6530 CG2 :: 21.5650 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 :: 7.7860 HA :: 4.0820 HB :: 1.5710 HG11 :: 0.5430 HG12 :: 0.5430 HG13 :: 0.5430 HG21 :: 0.7050 HG22 :: 0.7050 HG23 :: 0.7050 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 124.1900 Ave N Shift Values>> N :: 121.14(4.54) 1.P172 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.53 P 0.33 W 0.04 K 0.02 R 0.01 H 0.01 M 0.01 C Shift Assignments>> C :: 176.6610 CA :: 62.3490 CB :: 32.6880 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 :: 4.2070 HB2 :: 1.7830 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.A173 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.52 A 0.42 I 0.04 C Shift Assignments>> C :: 179.6410 CA :: 55.3000 CB :: 18.4460 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.6190 HA :: 3.7760 HB1 :: 1.2690 HB2 :: 1.2690 HB3 :: 1.2690 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.4440 Ave N Shift Values>> N :: 123.23(3.54) 1.E174 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> E 0.49 K 0.19 I 0.14 Q 0.13 M 0.02 C Shift Assignments>> C :: 176.5740 CA :: 58.3020 CB :: 29.0190 CG :: 35.8210 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 :: 8.9970 HA :: 4.0670 HB2 :: 1.6240 HB3 :: 1.7930 HG2 :: 1.5720(S) HG3 :: 1.3360(S) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 114.3050 Ave N Shift Values>> N :: 120.67(3.48) 1.F175 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.35 Y 0.35 I 0.14 L 0.06 D 0.05 N 0.01 C Shift Assignments>> C :: 173.6050 CA :: 58.3220 CB :: 39.6760 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 :: 7.5990 HA :: 4.7430 HB2 :: 2.4810 HB3 :: 2.4310 HD1 :: 7.1430 HE1 :: 7.2000 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 116.8400 Ave N Shift Values>> N :: 120.45(4.18) 1.I176 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 175.3220 CA :: 60.6250 CB :: 38.4730 CG1 :: 27.5430 CG2 :: 18.8170 CD1 :: 14.8030 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 :: 7.4580 HA :: 4.5710 HB :: 1.8550 HG12 :: 1.6500 HG21 :: 0.7960 HG22 :: 0.7960 HG23 :: 0.7960 HD11 :: 0.6130 HD12 :: 0.6130 HD13 :: 0.6130 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 :: 120.5100 Ave N Shift Values>> N :: 121.46(4.28) 1.K177 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.77 R 0.19 G 0.01 C Shift Assignments>> C :: 174.6640 CA :: 55.1620 CB :: 33.7280 CG :: 24.1680 CD :: 28.4950 CE :: 42.1800 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 :: 8.8240 HA :: 4.5920 HB2 :: 1.8120 HB3 :: 1.7070 HG2 :: 1.2220 HG3 :: 1.3850 HD2 :: 1.6300 HE2 :: 2.9690 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 127.9690 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V178 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 181.4280 CA :: 63.5700 CB :: 33.2710 CG1 :: 22.0120 CG2 :: 20.7750 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 :: 7.9410 HA :: 4.2600 HB :: 2.1690 HG11 :: 1.0300 HG12 :: 1.0300 HG13 :: 1.0300 HG21 :: 0.9750 HG22 :: 0.9750 HG23 :: 0.9750 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 :: 125.1380 Ave N Shift Values>> N :: 121.14(4.54) ########################################################################### Overall Results: #Consistent: 172 #Clerical: 0 #Suspicious: 6 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 176 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 2 Shift Relative Order (SRO) Results: #Consistent: 178 #Suspicious: 0 C Shift Results: #Consistent: 717 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent:1129 #Duplicate: 0 #Unknown: 0 #Suspicious: 10 #Anomalous: 0 N Shift Results: #Consistent: 178 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 Error Summary: 1.I22 N = 103.4800(S), Expected = 121.46, Std = 4.2800, ChiSquare = 2.6582e-05 1.K54 HE3 = 2.0620(S), Expected = 2.91, Std = 0.2000, ChiSquare = 2.2352e-05 1.R75 HB3 = 0.8000(S), Expected = 1.76, Std = 0.2800, ChiSquare = 6.0677e-04 1.R75 HG2 = 0.4770(S), Expected = 1.57, Std = 0.2700, ChiSquare = 5.1624e-05 1.R75 HG3 = 0.2060(S), Expected = 1.54, Std = 0.2900, ChiSquare = 4.2249e-06 1.L160 HD11 = -0.4470(S), Expected = 0.75, Std = 0.2800, ChiSquare = 1.9114e-05 1.L160 HD12 = -0.4470(S), Expected = 0.75, Std = 0.2800, ChiSquare = 1.9114e-05 1.L160 HD13 = -0.4470(S), Expected = 0.75, Std = 0.2800, ChiSquare = 1.9114e-05 1.L167 CG = 23.1050(S), Expected = 26.78, Std = 1.1000, ChiSquare = 8.3505e-04 1.L167 HG = 0.3048(S), Expected = 1.51, Std = 0.3300, ChiSquare = 2.6008e-04 1.E174 HG2 = 1.5720(S), Expected = 2.27, Std = 0.2100, ChiSquare = 8.8797e-04 1.E174 HG3 = 1.3360(S), Expected = 2.25, Std = 0.2200, ChiSquare = 3.2593e-05