Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.L1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.I2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> I 0.99 C Shift Assignments>> CA :: 61.8800 CB :: 37.7700 CG1 :: 27.4500 CG2 :: 18.0500 CD1 :: 13.5500 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>> HA :: 4.1750 HB :: 2.1070 HG12 :: 1.5560 HG13 :: 1.2870 HG21 :: 0.9330 HG22 :: 0.9330 HG23 :: 0.9330 HD11 :: 0.8740 HD12 :: 0.8740 HD13 :: 0.8740 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) 1.S3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 59.590 CB :: 63.6400 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.9130 HA :: 4.4350 HB2 :: 4.0130 HB3 :: 4.0130 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 :: 116.020 Ave N Shift Values>> N :: 116.28(3.52) 1.K4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.74 R 0.24 G 0.01 C Shift Assignments>> CA :: 56.1500 CB :: 32.8500 CG :: 25.4500 CD :: 28.700 CE :: 42.0500 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 :: 7.9790 HA :: 4.380 HB2 :: 1.9230 HB3 :: 1.8280 HG2 :: 1.5050 HG3 :: 1.4590 HD2 :: 1.6950 HD3 :: 1.6950 HE2 :: 3.0280 HE3 :: 3.0280 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 :: 120.030 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P6 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.F7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> I 0.71 F 0.14 Y 0.13 C Shift Assignments>> C :: 176.700 CA :: 63.1500 CB :: 39.880 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>> HA :: 4.0230 HB2 :: 3.0870 HB3 :: 3.0870 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) 1.A8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.66 A 0.26 I 0.06 HN Overlap>> 1.W27 1.W27 C Shift Assignments>> C :: 178.0100 CA :: 55.6300 CB :: 17.7500 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.7150 HA :: 3.920 HB1 :: 1.4650 HB2 :: 1.4650 HB3 :: 1.4650 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.230 Ave N Shift Values>> N :: 123.23(3.54) 1.R9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.74 G 0.15 K 0.09 L 0.01 HN Overlap>> 1.D87 1.D87 C Shift Assignments>> C :: 177.7900 CA :: 58.7000 CB :: 30.1200 CG :: 26.4500 CD :: 43.5200 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 :: 7.6180 HA :: 4.0810 HB2 :: 1.9780 HB3 :: 1.8980 HG2 :: 1.770 HG3 :: 1.770 HD2 :: 3.170 HD3 :: 3.037 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 :: 118.9100 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.L10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.89 R 0.09 C Shift Assignments>> C :: 177.7800 CA :: 57.680 CB :: 41.6800 CG :: 27.9500 CD1 :: 25.1500 CD2 :: 24.7500 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 :: 7.7520 HA :: 4.2330 HB2 :: 1.7820 HB3 :: 1.6260 HG :: 1.4460 HD11 :: 0.8450 HD12 :: 0.8450 HD13 :: 0.8450 HD21 :: 0.7830 HD22 :: 0.7830 HD23 :: 0.7830 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 :: 120.830 Ave N Shift Values>> N :: 121.86(3.9) 1.V11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.H56 1.H56 C Shift Assignments>> C :: 177.8300 CA :: 66.9300 CB :: 31.5200 CG1 :: 23.4500 CG2 :: 22.430 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 :: 8.180 HA :: 3.4250 HB :: 2.0650 HG11 :: 0.9180 HG12 :: 0.9180 HG13 :: 0.9180 HG21 :: 0.7640 HG22 :: 0.7640 HG23 :: 0.7640 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 117.150 Ave N Shift Values>> N :: 121.14(4.54) 1.K12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.6 R 0.37 G 0.01 C Shift Assignments>> C :: 176.7900 CA :: 58.9500 CB :: 32.1200 CG :: 25.6500 CD :: 28.200 CE :: 42.2500 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 :: 7.6680 HA :: 3.9980 HB2 :: 1.9970 HB3 :: 1.8450 HG2 :: 1.4180 HG3 :: 1.4180 HD2 :: 1.7270 HD3 :: 1.6050 HE2 :: 3.0550 HE3 :: 3.0550 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 :: 121.880 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.56 I 0.28 K 0.07 Q 0.03 M 0.03 C Shift Assignments>> C :: 179.2800 CA :: 59.6500 CB :: 29.7700 CG :: 36.4500 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.1490 HA :: 4.0850 HB2 :: 2.2400 HB3 :: 2.0420 HG2 :: 2.5750 HG3 :: 2.240 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 :: 118.250 Ave N Shift Values>> N :: 120.67(3.48) 1.V14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.F18 1.F18 C Shift Assignments>> C :: 178.3500 CA :: 66.2200 CB :: 31.2500 CG1 :: 23.1500 CG2 :: 23.6500 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 :: 7.9740 HA :: 4.0070 HB :: 2.0020 HG11 :: 1.1450 HG12 :: 1.1450 HG13 :: 1.1450 HG21 :: 1.079 HG22 :: 1.079 HG23 :: 1.079 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 117.450 Ave N Shift Values>> N :: 121.14(4.54) 1.T15 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 178.1900 CA :: 66.9900 CB :: 68.5900 CG2 :: 21.5500 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 :: 8.5690 HA :: 3.7710 HB :: 3.2250 HG21 :: 0.3270(S) HG22 :: 0.3270(S) HG23 :: 0.3270(S) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 113.7800 Ave N Shift Values>> N :: 115.42(4.75) 1.D16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.32 Y 0.31 D 0.11 L 0.1 I 0.08 N 0.03 K 0.01 C Shift Assignments>> C :: 178.4500 CA :: 57.4100 CB :: 39.8800 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 :: 8.6640 HA :: 4.5450 HB2 :: 2.9020 HB3 :: 2.6150 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 :: 123.420 Ave N Shift Values>> N :: 120.65(3.86) 1.E17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.31 K 0.27 Q 0.26 I 0.1 R 0.02 M 0.01 C Shift Assignments>> C :: 178.2200 CA :: 59.0500 CB :: 28.8500 CG :: 34.9500 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 :: 7.7050 HA :: 4.0890 HB2 :: 2.2850 HB3 :: 2.2850 HG2 :: 2.5700 HG3 :: 2.2170 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.180 Ave N Shift Values>> N :: 120.67(3.48) 1.F18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.39 F 0.29 Y 0.28 L 0.01 HN Overlap>> 1.V14 1.V73 1.V14 1.V73 C Shift Assignments>> C :: 177.1300 CA :: 60.7200 CB :: 39.8800 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 :: 7.9110 HA :: 4.3960 HB2 :: 3.3420 HB3 :: 3.2610 HD1 :: 7.2150 HD2 :: 7.2150 HE1 :: 7.5840 HE2 :: 7.5840 HZ :: 7.440 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 :: 117.450 Ave N Shift Values>> N :: 120.45(4.18) 1.T19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.1600 CA :: 63.8800 CB :: 69.4500 CG2 :: 22.3500 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 :: 8.2700 HA :: 4.510 HB :: 4.4230 HG21 :: 1.4020 HG22 :: 1.4020 HG23 :: 1.4020 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 :: 115.450 Ave N Shift Values>> N :: 115.42(4.75) 1.T20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.2800 CA :: 63.8500 CB :: 69.2500 CG2 :: 21.8300 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 :: 7.9740 HA :: 4.2620 HB :: 4.3590 HG21 :: 1.3150 HG22 :: 1.3150 HG23 :: 1.3150 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 114.370 Ave N Shift Values>> N :: 115.42(4.75) 1.K21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.73 R 0.25 G 0.01 C Shift Assignments>> C :: 176.0700 CA :: 57.1800 CB :: 32.8300 CG :: 24.6500 CD :: 28.6500 CE :: 42.0500 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 :: 7.5190 HA :: 4.2910 HB2 :: 1.9250 HB3 :: 1.8370 HG2 :: 1.4780 HG3 :: 1.4780 HD2 :: 1.6660 HD3 :: 1.6350 HE2 :: 2.970 HE3 :: 2.970 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 :: 119.710 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 N 0.31 L 0.13 F 0.1 Y 0.09 K 0.01 C Shift Assignments>> C :: 175.0800 CA :: 53.7700 CB :: 39.9900 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 :: 7.8410 HA :: 4.730 HB2 :: 2.9190 HB3 :: 2.6080 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.020 Ave N Shift Values>> N :: 120.65(3.86) 1.Q23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 Q 0.38 R 0.07 M 0.07 E 0.06 HN Overlap>> 1.S66 1.S66 C Shift Assignments>> C :: 175.8600 CA :: 57.5300 CB :: 29.0500 CG :: 33.4500 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.3130 HA :: 4.4250 HB2 :: 2.4710 HB3 :: 2.1150 HG2 :: 2.4710 HG3 :: 2.4710 HE21 :: 6.8210 HE22 :: 7.5520 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.7200 NE2 :: 112.1030 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.D24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.24 K 0.13 F 0.1 N 0.08 Y 0.07 R 0.02 C Shift Assignments>> C :: 174.8400 CA :: 54.5600 CB :: 41.290 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 :: 8.3130 HA :: 4.6550 HB2 :: 2.7450 HB3 :: 2.6580 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.150 Ave N Shift Values>> N :: 120.65(3.86) 1.L25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.81 G 0.14 R 0.04 C Shift Assignments>> C :: 176.5500 CA :: 55.0600 CB :: 43.5200 CG :: 26.9500 CD1 :: 24.6500 CD2 :: 24.6500 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.5720 HA :: 4.6020 HB2 :: 1.6150 HB3 :: 1.4380 HG :: 1.4160 HD11 :: 0.7950 HD12 :: 0.7950 HD13 :: 0.7950 HD21 :: 0.8180 HD22 :: 0.8180 HD23 :: 0.8180 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 :: 121.240 Ave N Shift Values>> N :: 121.86(3.9) 1.R26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.63 K 0.25 G 0.1 C Shift Assignments>> C :: 174.0400 CA :: 54.0100 CB :: 33.1700 CG :: 26.6500 CD :: 43.0200 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 :: 8.3850 HA :: 4.7870 HB2 :: 1.8650 HB3 :: 1.8650 HG2 :: 1.6750 HG3 :: 1.6750 HD2 :: 3.3240 HD3 :: 3.2020 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 :: 123.560 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.W27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.18 R 0.17 E 0.15 W 0.15 Q 0.14 M 0.09 K 0.07 HN Overlap>> 1.A8 1.A8 C Shift Assignments>> C :: 176.2800 CA :: 56.1100 CB :: 30.3500 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 :: 8.8240 HA :: 4.6080 HB2 :: 3.1630 HB3 :: 3.0350 HD1 :: 7.070 HE1 :: 9.6950 HE3 :: 7.3370 HZ2 :: 7.220 HZ3 :: 7.190 HH2 :: 6.755 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 :: 121.230 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.Q28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.82 K 0.1 Q 0.03 E 0.03 C Shift Assignments>> C :: 176.2800 CA :: 56.8500 CB :: 32.8300 CG :: 31.5600 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 :: 8.4270 HA :: 4.1630 HB2 :: 1.8670 HB3 :: 1.8670 HG2 :: 2.480 HG3 :: 2.480 HE21 :: 7.6030 HE22 :: 7.110 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 122.270 NE2 :: 112.4280 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.S29 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> CA :: 63.1800 CB :: 62.9300 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 4.2760 HB2 :: 2.590(S) HB3 :: 2.590(S) 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.M30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> M 0.69 Q 0.2 K 0.09 C Shift Assignments>> C :: 178.4500 CA :: 57.7600 CB :: 32.1200 CG :: 31.5500 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> HA :: 4.430 HB2 :: 2.250 HB3 :: 2.2500 HG2 :: 2.4780 HG3 :: 2.4780 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.A31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.51 A 0.42 I 0.04 C Shift Assignments>> C :: 178.0900 CA :: 55.4300 CB :: 18.5900 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.6190 HA :: 4.0150 HB1 :: 1.6500 HB2 :: 1.6500 HB3 :: 1.6500 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.7500 Ave N Shift Values>> N :: 123.23(3.54) 1.I32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 178.4100 CA :: 63.2900 CB :: 36.1200 CG1 :: 27.700 CG2 :: 17.3500 CD1 :: 10.5500 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 :: 7.5030 HA :: 3.6910 HB :: 2.3230 HG12 :: 1.6160 HG13 :: 1.3880 HG21 :: 0.9450 HG22 :: 0.9450 HG23 :: 0.9450 HD11 :: 0.5960 HD12 :: 0.5960 HD13 :: 0.5960 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 117.950 Ave N Shift Values>> N :: 121.46(4.28) 1.M33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.71 Q 0.23 K 0.03 E 0.01 C Shift Assignments>> C :: 177.9700 CA :: 57.6700 CB :: 32.0400 CG :: 32.5500 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 :: 8.0340 HA :: 4.2690 HB2 :: 2.7500 HB3 :: 2.2820 HG2 :: 2.7500 HG3 :: 2.750 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 :: 118.7900 Ave N Shift Values>> N :: 120.09(3.57) 1.A34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.71 A 0.23 I 0.04 C Shift Assignments>> C :: 179.6800 CA :: 55.2900 CB :: 17.0500 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.0070 HA :: 3.9440 HB1 :: 1.3470 HB2 :: 1.3470 HB3 :: 1.3470 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.470 Ave N Shift Values>> N :: 123.23(3.54) 1.L35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.93 G 0.04 R 0.01 C Shift Assignments>> C :: 179.6300 CA :: 57.8800 CB :: 42.7100 CG :: 26.6500 CD1 :: 23.9500 CD2 :: 23.9400 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.0030 HA :: 3.9450 HB2 :: 2.1990 HB3 :: 1.3560 HG :: 1.4740 HD11 :: 0.8640 HD12 :: 0.8640 HD13 :: 0.8640 HD21 :: 0.6870 HD22 :: 0.6870 HD23 :: 0.6870 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 :: 118.310 Ave N Shift Values>> N :: 121.86(3.9) 1.Q36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.3 K 0.3 I 0.14 E 0.12 R 0.07 P 0.02 C Shift Assignments>> C :: 177.8500 CA :: 60.1500 CB :: 28.1500 CG :: 34.2500 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 :: 8.5320 HA :: 3.7180 HB2 :: 2.1250 HB3 :: 2.2250 HG2 :: 2.3480 HG3 :: 2.3480 HE21 :: 7.310 HE22 :: 6.8050 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 122.480 NE2 :: 109.9830 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.46 E 0.38 K 0.09 Q 0.04 HN Overlap>> 1.H94 1.H94 C Shift Assignments>> C :: 179.1900 CA :: 59.6500 CB :: 28.1200 CG :: 36.2500 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 :: 8.5620 HA :: 4.0430 HB2 :: 2.1450 HB3 :: 2.1450 HG2 :: 2.5120 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.790 Ave N Shift Values>> N :: 120.67(3.48) 1.A38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.66 M 0.3 I 0.01 C Shift Assignments>> C :: 179.7400 CA :: 54.5500 CB :: 19.0500 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.6260 HA :: 4.2280 HB1 :: 1.6420 HB2 :: 1.6420 HB3 :: 1.6420 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.430 Ave N Shift Values>> N :: 123.23(3.54) 1.S39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.95 T 0.04 C Shift Assignments>> C :: 174.4900 CA :: 62.550 CB :: 64.5800 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.1600 HA :: 4.1590 HB2 :: 3.9680 HB3 :: 3.9680 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 :: 115.350 Ave N Shift Values>> N :: 116.28(3.52) 1.E40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.35 E 0.33 K 0.15 Q 0.12 R 0.01 C Shift Assignments>> C :: 177.0800 CA :: 59.8900 CB :: 28.1500 CG :: 35.5500 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 :: 7.6320 HA :: 3.5450 HB2 :: 1.4630 HB3 :: 1.4630 HG2 :: 1.770 HG3 :: 1.9970 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 :: 123.380 Ave N Shift Values>> N :: 120.67(3.48) 1.A41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.51 A 0.44 I 0.03 C Shift Assignments>> C :: 180.3700 CA :: 54.9300 CB :: 18.1500 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.860 HA :: 4.0070 HB1 :: 1.5030 HB2 :: 1.5030 HB3 :: 1.5030 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.090 Ave N Shift Values>> N :: 123.23(3.54) 1.Y42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.42 Y 0.29 F 0.24 E 0.02 HN Overlap>> 1.K110 1.R74 1.K110 1.R74 C Shift Assignments>> C :: 177.220 CA :: 60.3500 CB :: 38.4500 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 :: 8.2660 HA :: 3.970 HB2 :: 2.5790 HB3 :: 2.4650 HD1 :: 6.600 HD2 :: 6.600 HE1 :: 6.4850 HE2 :: 6.4850 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 120.400 Ave N Shift Values>> N :: 120.52(4.2) 1.L43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.86 R 0.12 G 0.01 HN Overlap>> 1.F119 1.R114 1.F119 1.R114 C Shift Assignments>> C :: 177.7900 CA :: 57.5300 CB :: 41.9900 CG :: 27.2500 CD1 :: 25.6500 CD2 :: 24.1500 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.080 HA :: 3.8120 HB2 :: 1.9400 HB3 :: 1.8350 HG :: 1.8350 HD11 :: 1.020 HD12 :: 1.020 HD13 :: 1.020 HD21 :: 0.9630 HD22 :: 0.9630 HD23 :: 0.9630 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.630 Ave N Shift Values>> N :: 121.86(3.9) 1.V44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 177.9600 CA :: 67.1500 CB :: 31.2500 CG1 :: 23.3500 CG2 :: 21.5500 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 :: 8.4150 HA :: 3.450 HB :: 2.0850 HG11 :: 1.0330 HG12 :: 1.0330 HG13 :: 1.0330 HG21 :: 0.8780 HG22 :: 0.8780 HG23 :: 0.8780 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.320 Ave N Shift Values>> N :: 121.14(4.54) 1.G45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.04 A 0.02 P 0.02 C Shift Assignments>> C :: 176.0700 CA :: 47.4100 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.7470 HA2 :: 3.8560 HA3 :: 3.8560 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.020 Ave N Shift Values>> N :: 109.67(3.87) 1.L46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.89 R 0.07 G 0.02 C Shift Assignments>> C :: 179.5200 CA :: 57.4100 CB :: 42.3500 CG :: 26.4500 CD1 :: 25.4500 CD2 :: 23.4500 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 :: 7.8020 HA :: 4.0020 HB2 :: 1.6850 HB3 :: 1.3840 HG :: 1.4070 HD11 :: 0.6750 HD12 :: 0.6750 HD13 :: 0.6750 HD21 :: 0.6990 HD22 :: 0.6990 HD23 :: 0.6990 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 :: 122.340 Ave N Shift Values>> N :: 121.86(3.9) 1.L47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.94 R 0.02 A 0.01 G 0.01 C Shift Assignments>> C :: 178.2100 CA :: 56.9500 CB :: 41.8500 CG :: 25.6500 CD1 :: 25.6500 CD2 :: 22.9800 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 :: 8.0820 HA :: 4.1690 HB2 :: 1.8870 HB3 :: 1.540 HG :: 1.6870 HD11 :: 0.8240 HD12 :: 0.8240 HD13 :: 0.8240 HD21 :: 0.8240 HD22 :: 0.8240 HD23 :: 0.8240 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 :: 118.4500 Ave N Shift Values>> N :: 121.86(3.9) 1.E48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.61 K 0.11 M 0.1 Q 0.08 I 0.07 HN Overlap>> 1.V76 1.V76 C Shift Assignments>> C :: 177.1200 CA :: 57.4500 CB :: 30.0100 CG :: 36.2500 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 :: 7.870 HA :: 4.1420 HB2 :: 1.9650 HB3 :: 1.9650 HG2 :: 2.1540 HG3 :: 2.3540 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 116.980 Ave N Shift Values>> N :: 120.67(3.48) 1.H49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.17 Q 0.16 R 0.15 W 0.14 E 0.14 K 0.11 M 0.07 C Shift Assignments>> C :: 174.0700 CA :: 55.7600 CB :: 29.8800 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 :: 7.8330 HA :: 4.8780 HB2 :: 3.4210 HB3 :: 3.1690 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 :: 114.660 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.T50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.3900 CA :: 61.8800 CB :: 70.3500 CG2 :: 21.5500 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 :: 7.8710 HA :: 4.5710 HB :: 4.2750 HG21 :: 1.2470 HG22 :: 1.2470 HG23 :: 1.2470 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 113.050 Ave N Shift Values>> N :: 115.42(4.75) 1.N51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.64 D 0.15 Y 0.07 F 0.06 L 0.03 M 0.01 E 0.01 C Shift Assignments>> C :: 175.4400 CA :: 52.8700 CB :: 38.4700 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 :: 8.4770 HA :: 4.8680 HB2 :: 2.9140 HB3 :: 2.8650 HD21 :: 7.5920 HD22 :: 6.8730 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 119.760 ND2 :: 112.4280 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.87 R 0.1 G 0.01 C Shift Assignments>> C :: 177.4400 CA :: 56.8800 CB :: 42.2400 CG :: 27.6500 CD1 :: 24.9500 CD2 :: 23.930 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 :: 8.0890 HA :: 4.1440 HB2 :: 1.650 HB3 :: 1.560 HG :: 1.6890 HD11 :: 0.9330 HD12 :: 0.9330 HD13 :: 0.9330 HD21 :: 0.8590 HD22 :: 0.8590 HD23 :: 0.8590 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 :: 121.360 Ave N Shift Values>> N :: 121.86(3.9) 1.L53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.92 R 0.06 HN Overlap>> 1.T92 1.T92 C Shift Assignments>> C :: 177.360 CA :: 56.0100 CB :: 41.7700 CG :: 27.2500 CD1 :: 25.2500 CD2 :: 25.2500 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 :: 8.1650 HA :: 4.2550 HB2 :: 1.680 HB3 :: 1.570 HG :: 1.6180 HD11 :: 0.9110 HD12 :: 0.9110 HD13 :: 0.9110 HD21 :: 0.8770 HD22 :: 0.8770 HD23 :: 0.8770 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.3500 Ave N Shift Values>> N :: 121.86(3.9) 1.A54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.79 M 0.19 C Shift Assignments>> C :: 177.6200 CA :: 53.2500 CB :: 18.8200 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.9690 HA :: 4.2220 HB1 :: 1.4050 HB2 :: 1.4050 HB3 :: 1.4050 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.3100 Ave N Shift Values>> N :: 123.23(3.54) 1.L55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.87 R 0.09 G 0.02 C Shift Assignments>> C :: 176.7400 CA :: 55.4200 CB :: 42.3500 CG :: 26.9500 CD1 :: 25.4500 CD2 :: 25.4500 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 :: 7.6960 HA :: 4.2330 HB2 :: 1.6370 HB3 :: 1.6370 HG :: 1.6170 HD11 :: 0.8990 HD12 :: 0.8990 HD13 :: 0.8990 HD21 :: 0.8440 HD22 :: 0.8440 HD23 :: 0.8440 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 :: 117.930 Ave N Shift Values>> N :: 121.86(3.9) 1.H56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.18 H 0.17 K 0.16 W 0.13 R 0.13 E 0.12 M 0.05 L 0.01 HN Overlap>> 1.V11 1.V11 C Shift Assignments>> C :: 174.1500 CA :: 55.4200 CB :: 29.2500 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 :: 8.1960 HA :: 4.6650 HB2 :: 3.2880 HB3 :: 3.2880 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 :: 117.120 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.L57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.85 R 0.11 G 0.02 C Shift Assignments>> C :: 175.7600 CA :: 55.4100 CB :: 42.4700 CG :: 27.1500 CD1 :: 25.4200 CD2 :: 24.9400 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.9890 HA :: 4.4140 HB2 :: 1.690 HB3 :: 1.5700 HG :: 1.5460 HD11 :: 0.8990 HD12 :: 0.8990 HD13 :: 0.8990 HD21 :: 0.8440 HD22 :: 0.8440 HD23 :: 0.8440 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 :: 120.690 Ave N Shift Values>> N :: 121.86(3.9) 1.V58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 173.8800 CA :: 59.5200 CB :: 32.7100 CG1 :: 21.3500 CG2 :: 21.0500 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 :: 7.8480 HA :: 4.4850 HB :: 2.1420 HG11 :: 0.9510 HG12 :: 0.9510 HG13 :: 0.9510 HG21 :: 0.9340 HG22 :: 0.9340 HG23 :: 0.9340 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 :: 119.740 Ave N Shift Values>> N :: 121.14(4.54) 1.P59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 174.2500 CA :: 63.200 CB :: 32.1200 CG :: 27.7500 CD :: 50.7500 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 :: 4.4490 HB2 :: 2.3110 HB3 :: 1.9450 HG2 :: 2.0980 HG3 :: 1.8680 HD2 :: 3.8970 HD3 :: 3.6890 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.R60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.79 K 0.1 G 0.09 C Shift Assignments>> C :: 176.6200 CA :: 56.4600 CB :: 30.7200 CG :: 27.1500 CD :: 43.2500 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 :: 8.3970 HA :: 4.3350 HB2 :: 1.890 HB3 :: 1.8270 HG2 :: 1.7010 HG3 :: 1.7010 HD2 :: 3.2430 HD3 :: 3.2430 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 :: 121.450 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.G61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.89 L 0.08 C Shift Assignments>> C :: 174.0900 CA :: 45.6500 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.5410 HA2 :: 4.0030 HA3 :: 4.0030 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.770 Ave N Shift Values>> N :: 109.67(3.87) 1.S62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.2700 CA :: 58.7500 CB :: 64.1000 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.1450 HA :: 4.4700 HB2 :: 3.9540 HB3 :: 3.8940 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 :: 115.890 Ave N Shift Values>> N :: 116.28(3.52) 1.K63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.64 R 0.34 G 0.01 C Shift Assignments>> C :: 175.9500 CA :: 56.1200 CB :: 32.8300 CG :: 25.4500 CD :: 28.2500 CE :: 42.2500 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 :: 8.3360 HA :: 4.3720 HB2 :: 1.8770 HB3 :: 1.8770 HG2 :: 1.4660 HG3 :: 1.4660 HD2 :: 1.6890 HD3 :: 1.6890 HE2 :: 3.210 HE3 :: 3.210 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 122.680 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 0.78 K 0.11 G 0.09 C Shift Assignments>> C :: 175.5500 CA :: 56.3500 CB :: 30.9500 CG :: 27.1500 CD :: 43.2500 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 :: 8.1870 HA :: 4.3950 HB2 :: 1.8550 HB3 :: 1.8080 HG2 :: 1.6850 HG3 :: 1.6850 HD2 :: 3.2300 HD3 :: 3.2300 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 :: 120.930 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.I65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 175.8800 CA :: 61.1700 CB :: 38.8200 CG1 :: 27.3500 CG2 :: 17.5700 CD1 :: 13.3500 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 :: 8.1650 HA :: 4.2550 HB :: 1.9250 HG12 :: 1.4950 HG13 :: 1.2240 HG21 :: 0.9380 HG22 :: 0.9380 HG23 :: 0.9380 HD11 :: 0.8780 HD12 :: 0.8780 HD13 :: 0.8780 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 :: 121.120 Ave N Shift Values>> N :: 121.46(4.28) 1.S66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.Q23 1.Q23 C Shift Assignments>> C :: 174.4900 CA :: 58.5800 CB :: 64.1100 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.3460 HA :: 4.5110 HB2 :: 3.9320 HB3 :: 3.9320 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 :: 120.720 Ave N Shift Values>> N :: 116.28(3.52) 1.G67 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.G118 1.G118 C Shift Assignments>> C :: 175.8400 CA :: 45.4800 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.2750 HA2 :: 4.0370 HA3 :: 4.0370 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.050 Ave N Shift Values>> N :: 109.67(3.87) 1.L68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.84 R 0.1 G 0.04 C Shift Assignments>> C :: 177.4500 CA :: 55.4100 CB :: 42.7100 CG :: 26.9500 CD1 :: 25.3500 CD2 :: 25.1900 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 :: 8.0570 HA :: 4.4920 HB2 :: 1.6730 HB3 :: 1.5250 HG :: 1.6850 HD11 :: 0.9110 HD12 :: 0.9110 HD13 :: 0.9110 HD21 :: 0.8810 HD22 :: 0.8810 HD23 :: 0.8810 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 :: 120.990 Ave N Shift Values>> N :: 121.86(3.9) 1.I69 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.Y70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> I 0.6 Y 0.2 F 0.16 E 0.01 C Shift Assignments>> CA :: 61.6500 CB :: 38.2500 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> HA :: 4.0390 HB2 :: 3.1870 HB3 :: 3.020 HD1 :: 7.0020 HD2 :: 7.0020 HE1 :: 6.730 HE2 :: 6.730 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) 1.E71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.21 W 0.2 E 0.12 K 0.12 H 0.09 Q 0.09 R 0.08 V 0.03 M 0.01 C Shift Assignments>> CA :: 60.1200 CB :: 29.0800 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 :: 8.9990 HA :: 4.1730 HB2 :: 1.9850 HB3 :: 1.9850 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 :: 117.580 Ave N Shift Values>> N :: 120.67(3.48) 1.E72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.61 I 0.13 K 0.11 Q 0.07 M 0.06 C Shift Assignments>> C :: 178.090 CA :: 58.3500 CB :: 29.8800 CG :: 36.250 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 :: 7.760 HA :: 4.1650 HB2 :: 2.150 HB3 :: 2.150 HG2 :: 2.149 HG3 :: 2.360 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.620 Ave N Shift Values>> N :: 120.67(3.48) 1.V73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.F18 1.F18 C Shift Assignments>> C :: 176.6200 CA :: 65.4500 CB :: 31.5400 CG1 :: 22.9500 CG2 :: 22.0800 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 :: 7.8690 HA :: 3.7570 HB :: 2.160 HG11 :: 0.9850 HG12 :: 0.9850 HG13 :: 0.9850 HG21 :: 0.8710 HG22 :: 0.8710 HG23 :: 0.8710 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 117.510 Ave N Shift Values>> N :: 121.14(4.54) 1.R74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.75 G 0.17 K 0.06 HN Overlap>> 1.V106 1.V106 1.Y42 1.Y42 C Shift Assignments>> C :: 176.8600 CA :: 59.9500 CB :: 30.070 CG :: 26.6500 CD :: 43.450 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 :: 8.3350 HA :: 3.6490 HB2 :: 1.6680 HB3 :: 1.3510 HG2 :: 1.4650 HG3 :: 1.4650 HD2 :: 3.1280 HD3 :: 3.1280 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 :: 120.440 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.A75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.57 A 0.36 I 0.05 C Shift Assignments>> C :: 180.3800 CA :: 55.5400 CB :: 18.3200 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.7250 HA :: 4.1570 HB1 :: 1.5880 HB2 :: 1.5880 HB3 :: 1.5880 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.490 Ave N Shift Values>> N :: 123.23(3.54) 1.V76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.E48 1.E48 C Shift Assignments>> C :: 178.3400 CA :: 64.9500 CB :: 31.8200 CG1 :: 22.3500 CG2 :: 22.0500 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 :: 7.8140 HA :: 4.12500 HB :: 2.3120 HG11 :: 1.1720 HG12 :: 1.1720 HG13 :: 1.1720 HG21 :: 1.1130 HG22 :: 1.1130 HG23 :: 1.1130 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 116.910 Ave N Shift Values>> N :: 121.14(4.54) 1.L77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.7 R 0.23 G 0.06 C Shift Assignments>> C :: 177.9300 CA :: 57.2500 CB :: 43.010 CG :: 27.4500 CD1 :: 25.6500 CD2 :: 24.6500 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.3890 HA :: 4.4250 HB2 :: 1.9490 HB3 :: 1.6790 HG :: 1.9450 HD11 :: 1.0890 HD12 :: 1.0890 HD13 :: 1.0890 HD21 :: 1.1380 HD22 :: 1.1380 HD23 :: 1.1380 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 :: 121.020 Ave N Shift Values>> N :: 121.86(3.9) 1.K78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.71 R 0.24 G 0.03 C Shift Assignments>> C :: 177.3200 CA :: 61.3500 CB :: 32.4500 CG :: 25.6500 CD :: 29.7100 CE :: 42.2500 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 :: 8.7570 HA :: 3.9070 HB2 :: 2.020 HB3 :: 1.9920 HG2 :: 1.4340 HG3 :: 1.4340 HD2 :: 1.6700 HD3 :: 1.6700 HE2 :: 3.0080 HE3 :: 2.946 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 :: 120.530 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.3200 CA :: 62.2500 CB :: 63.0500 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.0550 HA :: 4.2700 HB2 :: 4.0870 HB3 :: 4.0870 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 113.040 Ave N Shift Values>> N :: 116.28(3.52) 1.F80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.41 Y 0.28 F 0.28 C Shift Assignments>> C :: 176.4800 CA :: 60.6500 CB :: 39.4500 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 :: 7.7340 HA :: 4.2550 HB2 :: 2.880 HB3 :: 2.880 HD1 :: 6.6490 HD2 :: 6.6490 HE1 :: 6.750 HE2 :: 6.750 HZ :: 6.840 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 :: 123.520 Ave N Shift Values>> N :: 120.45(4.18) 1.L81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.7 R 0.25 G 0.04 C Shift Assignments>> C :: 178.2800 CA :: 57.6500 CB :: 42.7500 CG :: 27.6500 CD1 :: 25.6500 CD2 :: 23.9500 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 :: 8.6930 HA :: 3.5580 HB2 :: 2.0650 HB3 :: 1.2470 HG :: 1.9210 HD11 :: 0.8750 HD12 :: 0.8750 HD13 :: 0.8750 HD21 :: 0.8750 HD22 :: 0.8750 HD23 :: 0.8750 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.370 Ave N Shift Values>> N :: 121.86(3.9) 1.E82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.48 E 0.41 K 0.06 Q 0.02 C Shift Assignments>> C :: 177.8700 CA :: 60.5500 CB :: 29.2800 CG :: 36.4500 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.8690 HA :: 3.7850 HB2 :: 2.2900 HB3 :: 2.0940 HG2 :: 2.5370 HG3 :: 2.3800 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 :: 118.350 Ave N Shift Values>> N :: 120.67(3.48) 1.S83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.8300 CA :: 61.1500 CB :: 62.7500 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.4740 HA :: 4.1650 HB2 :: 3.9730 HB3 :: 3.9730 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 113.610 Ave N Shift Values>> N :: 116.28(3.52) 1.V84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 179.2700 CA :: 65.7500 CB :: 32.0300 CG1 :: 22.6800 CG2 :: 22.0500 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 :: 7.6680 HA :: 3.6600 HB :: 1.5560 HG11 :: 0.2740 HG12 :: 0.2740 HG13 :: 0.2740 HG21 :: 0.6160 HG22 :: 0.6160 HG23 :: 0.6160 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 :: 121.040 Ave N Shift Values>> N :: 121.14(4.54) 1.I85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 176.5500 CA :: 66.7100 CB :: 36.2100 CG1 :: 31.4600 CG2 :: 17.3500 CD1 :: 15.0600 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 :: 9.0860 HA :: 3.5370 HB :: 1.7170 HG12 :: 1.6690 HG13 :: 0.8240 HG21 :: 0.480 HG22 :: 0.480 HG23 :: 0.480 HD11 :: 0.6160 HD12 :: 0.6160 HD13 :: 0.6160 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 123.350 Ave N Shift Values>> N :: 121.46(4.28) 1.R86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.77 G 0.18 K 0.04 C Shift Assignments>> C :: 178.9200 CA :: 59.9800 CB :: 29.6500 CG :: 27.2600 CD :: 43.4500 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 :: 8.1250 HA :: 3.8020 HB2 :: 2.0820 HB3 :: 1.9980 HG2 :: 1.8450 HG3 :: 1.6680 HD2 :: 3.3340 HD3 :: 3.2960 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 :: 120.150 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.D87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.28 Y 0.24 L 0.15 D 0.14 K 0.07 I 0.05 N 0.02 HN Overlap>> 1.R9 1.R9 C Shift Assignments>> C :: 178.0500 CA :: 57.1400 CB :: 40.5200 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 :: 7.6680 HA :: 4.5370 HB2 :: 2.8470 HB3 :: 2.6140 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 118.810 Ave N Shift Values>> N :: 120.65(3.86) 1.S88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.3500 CA :: 57.170 CB :: 64.0500 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.5060 HA :: 4.1660 HB2 :: 3.620 HB3 :: 3.620 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 119.350 Ave N Shift Values>> N :: 116.28(3.52) 1.V89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 177.4400 CA :: 65.9900 CB :: 31.2400 CG1 :: 23.3500 CG2 :: 21.5500 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 :: 8.5050 HA :: 3.6110 HB :: 2.1870 HG11 :: 0.9850 HG12 :: 0.9850 HG13 :: 0.9850 HG21 :: 0.9660 HG22 :: 0.9660 HG23 :: 0.9660 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 :: 121.2400 Ave N Shift Values>> N :: 121.14(4.54) 1.T90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 177.4100 CA :: 66.5500 CB :: 68.2200 CG2 :: 22.0800 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 :: 8.0160 HA :: 4.0130 HB :: 4.2550 HG21 :: 1.1460 HG22 :: 1.1460 HG23 :: 1.1460 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 :: 117.040 Ave N Shift Values>> N :: 115.42(4.75) 1.Y91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.71 Y 0.14 F 0.11 E 0.01 C Shift Assignments>> C :: 178.1800 CA :: 62.4700 CB :: 38.0300 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 :: 7.8220 HA :: 4.1620 HB2 :: 3.2010 HB3 :: 3.2010 HD1 :: 7.1780 HD2 :: 7.1780 HE1 :: 6.5630 HE2 :: 6.5630 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 :: 122.7700 Ave N Shift Values>> N :: 120.52(4.2) 1.T92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> 1.L53 1.L53 C Shift Assignments>> C :: 175.8800 CA :: 67.3900 CB :: 69.1900 CG2 :: 19.8500 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.160 HA :: 3.6780 HB :: 4.090 HG21 :: 0.8310 HG22 :: 0.8310 HG23 :: 0.8310 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 :: 119.350 Ave N Shift Values>> N :: 115.42(4.75) 1.E93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.45 K 0.21 Q 0.16 I 0.12 M 0.01 R 0.01 C Shift Assignments>> C :: 181.3400 CA :: 58.2900 CB :: 28.8900 CG :: 35.6500 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 :: 8.5140 HA :: 4.2380 HB2 :: 2.1570 HB3 :: 2.1570 HG2 :: 2.5350 HG3 :: 2.3020 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 :: 118.8400 Ave N Shift Values>> N :: 120.67(3.48) 1.H94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.15 Q 0.14 K 0.14 R 0.14 E 0.11 H 0.1 I 0.1 L 0.05 M 0.01 HN Overlap>> 1.E37 1.E37 C Shift Assignments>> C :: 175.3900 CA :: 58.2500 CB :: 28.1100 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 :: 8.5310 HA :: 4.4650 HB2 :: 3.3550 HB3 :: 3.3550 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 :: 120.870 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.A95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.89 M 0.1 C Shift Assignments>> C :: 175.3800 CA :: 51.7500 CB :: 18.7100 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.5250 HA :: 4.3350 HB1 :: 1.520 HB2 :: 1.520 HB3 :: 1.520 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.010 Ave N Shift Values>> N :: 123.23(3.54) 1.K96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.49 K 0.37 L 0.1 G 0.02 HN Overlap>> 1.K98 1.K98 C Shift Assignments>> C :: 175.0200 CA :: 56.5900 CB :: 28.6500 CG :: 24.9500 CD :: 28.6500 CE :: 42.2500 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 :: 8.2320 HA :: 3.9550 HB2 :: 2.1360 HB3 :: 1.9750 HG2 :: 1.3780 HG3 :: 1.3780 HD2 :: 1.7440 HD3 :: 1.6800 HE2 :: 3.0350 HE3 :: 3.0350 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 :: 115.990 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.64 R 0.2 G 0.15 C Shift Assignments>> C :: 175.2500 CA :: 55.0100 CB :: 35.1700 CG :: 28.4500 CD :: 42.9900 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 :: 7.6850 HA :: 4.6510 HB2 :: 1.9310 HB3 :: 1.9310 HG2 :: 1.700 HG3 :: 1.700 HD2 :: 3.3420 HD3 :: 3.3420 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 :: 116.850 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.K98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.63 R 0.3 G 0.05 HN Overlap>> 1.K96 1.K96 C Shift Assignments>> C :: 174.3200 CA :: 54.5000 CB :: 33.5900 CG :: 24.6500 CD :: 28.4500 CE :: 42.8500 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 :: 8.2320 HA :: 4.4090 HB2 :: 2.2080 HB3 :: 1.5620 HG2 :: 1.2930 HG3 :: 1.2930 HD2 :: 1.7010 HD3 :: 1.5180 HE2 :: 2.9350 HE3 :: 2.9350 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 :: 115.990 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 172.1700 CA :: 60.5100 CB :: 70.1800 CG2 :: 21.6500 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 6.7680 HA :: 4.7690 HB :: 3.8780 HG21 :: 1.0050 HG22 :: 1.0050 HG23 :: 1.0050 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 114.310 Ave N Shift Values>> N :: 115.42(4.75) 1.V100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.6900 CA :: 61.9500 CB :: 32.2900 CG1 :: 21.3500 CG2 :: 19.5500 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 :: 8.690 HA :: 3.9870 HB :: 1.1870 HG11 :: 0.6520 HG12 :: 0.6520 HG13 :: 0.6520 HG21 :: 0.0790 HG22 :: 0.0790 HG23 :: 0.0790 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 :: 128.820 Ave N Shift Values>> N :: 121.14(4.54) 1.T101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 176.4600 CA :: 59.9900 CB :: 72.5500 CG2 :: 21.5500 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 :: 9.2630 HA :: 4.7980 HB :: 4.6040 HG21 :: 1.1880 HG22 :: 1.1880 HG23 :: 1.1880 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 :: 118.310 Ave N Shift Values>> N :: 115.42(4.75) 1.S102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.2100 CA :: 61.8500 CB :: 61.8500 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.1480 HA :: 3.9130 HB2 :: 3.6920 HB3 :: 3.6920 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 :: 115.810 Ave N Shift Values>> N :: 116.28(3.52) 1.L103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.98 C Shift Assignments>> C :: 177.7800 CA :: 57.6300 CB :: 41.4300 CG :: 26.9500 CD1 :: 24.1500 CD2 :: 23.9500 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 :: 7.3890 HA :: 3.9650 HB2 :: 1.5730 HB3 :: 1.4740 HG :: 1.3480 HD11 :: 0.8590 HD12 :: 0.8590 HD13 :: 0.8590 HD21 :: 0.6580 HD22 :: 0.6580 HD23 :: 0.6580 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 :: 121.540 Ave N Shift Values>> N :: 121.86(3.9) 1.D104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.29 Y 0.23 K 0.16 L 0.13 D 0.07 I 0.06 R 0.01 C Shift Assignments>> C :: 177.2300 CA :: 58.1400 CB :: 41.0500 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 :: 7.240 HA :: 4.240 HB2 :: 3.070 HB3 :: 2.950 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 :: 120.260 Ave N Shift Values>> N :: 120.65(3.86) 1.V105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 177.5500 CA :: 65.2700 CB :: 31.5700 CG1 :: 21.6500 CG2 :: 21.4500 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 :: 7.150 HA :: 4.0250 HB :: 2.1940 HG11 :: 1.1740 HG12 :: 1.1740 HG13 :: 1.1740 HG21 :: 0.7840 HG22 :: 0.7840 HG23 :: 0.7840 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.230 Ave N Shift Values>> N :: 121.14(4.54) 1.V106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.R74 1.R74 C Shift Assignments>> C :: 178.5200 CA :: 67.4400 CB :: 31.7700 CG1 :: 22.9300 CG2 :: 21.3500 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 :: 8.380 HA :: 3.5120 HB :: 2.1330 HG11 :: 1.0450 HG12 :: 1.0450 HG13 :: 1.0450 HG21 :: 0.9280 HG22 :: 0.9280 HG23 :: 0.9280 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 :: 120.4500 Ave N Shift Values>> N :: 121.14(4.54) 1.Y107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.28 E 0.26 Y 0.17 F 0.09 V 0.07 M 0.04 K 0.03 Q 0.01 C Shift Assignments>> C :: 177.9500 CA :: 60.1500 CB :: 36.2100 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 :: 8.2460 HA :: 4.1130 HB2 :: 2.6370 HB3 :: 2.5700 HD1 :: 7.2050 HD2 :: 7.2050 HE1 :: 6.790 HE2 :: 6.790 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 120.160 Ave N Shift Values>> N :: 120.52(4.2) 1.A108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.49 L 0.22 M 0.12 V 0.09 T 0.04 I 0.01 C Shift Assignments>> C :: 180.3500 CA :: 55.6700 CB :: 20.6500 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.9120 HA :: 4.0180 HB1 :: 1.7050 HB2 :: 1.7050 HB3 :: 1.7050 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.660 Ave N Shift Values>> N :: 123.23(3.54) 1.L109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.91 R 0.06 C Shift Assignments>> C :: 179.2900 CA :: 57.8700 CB :: 41.4300 CG :: 26.6900 CD1 :: 26.5500 CD2 :: 23.6500 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.7270 HA :: 3.8870 HB2 :: 1.9720 HB3 :: 1.4150 HG :: 1.7780 HD11 :: 0.800 HD12 :: 0.800 HD13 :: 0.800 HD21 :: 0.8000 HD22 :: 0.8000 HD23 :: 0.8000 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.820 Ave N Shift Values>> N :: 121.86(3.9) 1.K110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.82 R 0.16 HN Overlap>> 1.Y42 1.Y42 C Shift Assignments>> C :: 179.4700 CA :: 58.8500 CB :: 32.0500 CG :: 25.4400 CD :: 29.1500 CE :: 41.7500 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 :: 8.180 HA :: 4.1580 HB2 :: 1.9500 HB3 :: 1.9500 HG2 :: 1.6460 HG3 :: 1.4660 HD2 :: 1.6570 HD3 :: 1.6570 HE2 :: 2.9250 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 :: 120.420 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.77 K 0.12 G 0.08 L 0.01 C Shift Assignments>> C :: 177.2400 CA :: 58.1500 CB :: 29.8100 CG :: 26.9500 CD :: 43.1500 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 :: 7.7650 HA :: 4.1420 HB2 :: 1.9980 HB3 :: 1.9640 HG2 :: 1.6950 HG3 :: 1.6850 HD2 :: 3.1950 HD3 :: 3.0940 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 119.820 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.Q112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.39 K 0.38 R 0.1 M 0.07 E 0.04 C Shift Assignments>> C :: 176.0600 CA :: 55.5500 CB :: 28.7600 CG :: 33.4500 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.8560 HA :: 4.4350 HB2 :: 2.4480 HB3 :: 2.0790 HG2 :: 2.480 HG3 :: 2.480 HE21 :: 8.0670 HE22 :: 6.420 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 116.120 NE2 :: 112.9130 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.91 L 0.07 C Shift Assignments>> C :: 174.2400 CA :: 45.9530 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.0480 HA2 :: 4.0410 HA3 :: 3.9880 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.070 Ave N Shift Values>> N :: 109.67(3.87) 1.R114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.67 K 0.26 G 0.06 HN Overlap>> 1.L43 1.L43 C Shift Assignments>> C :: 175.4900 CA :: 57.9500 CB :: 31.5100 CG :: 27.6500 CD :: 43.0500 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 :: 8.1160 HA :: 4.5650 HB2 :: 1.9140 HB3 :: 1.7270 HG2 :: 1.6830 HG3 :: 1.6830 HD2 :: 3.3110 HD3 :: 3.2180 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 119.710 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.T115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.4600 CA :: 61.8200 CB :: 70.0500 CG2 :: 21.5600 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 :: 8.14300 HA :: 4.2620 HB :: 4.090 HG21 :: 1.0860 HG22 :: 1.0860 HG23 :: 1.0860 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 114.890 Ave N Shift Values>> N :: 115.42(4.75) 1.L116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.82 G 0.1 R 0.06 A 0.01 C Shift Assignments>> C :: 175.8300 CA :: 54.7600 CB :: 43.2800 CG :: 26.8500 CD1 :: 25.0500 CD2 :: 24.1500 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.1430 HA :: 4.4250 HB2 :: 1.4950 HB3 :: 1.5420 HG :: 1.540 HD11 :: 0.8740 HD12 :: 0.8740 HD13 :: 0.8740 HD21 :: 0.7720 HD22 :: 0.7720 HD23 :: 0.7720 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 124.070 Ave N Shift Values>> N :: 121.86(3.9) 1.Y117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.37 F 0.33 I 0.16 D 0.04 L 0.03 E 0.02 N 0.01 C Shift Assignments>> C :: 175.8300 CA :: 58.1400 CB :: 38.8500 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 :: 8.2130 HA :: 4.550 HB2 :: 3.040 HB3 :: 2.880 HD1 :: 7.090 HD2 :: 7.090 HE1 :: 6.7940 HE2 :: 6.7940 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 121.630 Ave N Shift Values>> N :: 120.52(4.2) 1.G118 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.G67 1.G67 C Shift Assignments>> C :: 173.6600 CA :: 45.470 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.2750 HA2 :: 3.930 HA3 :: 3.690 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.050 Ave N Shift Values>> N :: 109.67(3.87) 1.F119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.34 Y 0.32 I 0.11 L 0.08 D 0.07 K 0.02 N 0.01 HN Overlap>> 1.L43 1.L43 C Shift Assignments>> C :: 175.2800 CA :: 58.0600 CB :: 40.0500 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 :: 8.0330 HA :: 4.6120 HB2 :: 3.1520 HB3 :: 2.8900 HD1 :: 6.750 HD2 :: 6.750 HE1 :: 7.2010 HE2 :: 7.2010 HZ :: 6.8540 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 :: 119.610 Ave N Shift Values>> N :: 120.45(4.18) 1.G120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.89 L 0.08 C Shift Assignments>> C :: 173.0500 CA :: 45.6500 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.3340 HA2 :: 3.8980 HA3 :: 3.8980 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.930 Ave N Shift Values>> N :: 109.67(3.87) 1.G121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.91 L 0.07 C Shift Assignments>> C :: 178.4200 CA :: 46.0100 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.6170 HA2 :: 3.830 HA3 :: 3.830 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 114.680 Ave N Shift Values>> N :: 109.67(3.87) ########################################################################### Overall Results: #Consistent: 119 #Clerical: 0 #Suspicious: 2 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 117 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 4 Shift Relative Order (SRO) Results: #Consistent: 121 #Suspicious: 0 C Shift Results: #Consistent: 487 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 838 #Duplicate: 0 #Unknown: 0 #Suspicious: 5 #Anomalous: 0 N Shift Results: #Consistent: 116 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.T15 HG21 = 0.3270(S), Expected = 1.14, Std = 0.2300, ChiSquare = 4.0811e-04 1.T15 HG22 = 0.3270(S), Expected = 1.14, Std = 0.2300, ChiSquare = 4.0811e-04 1.T15 HG23 = 0.3270(S), Expected = 1.14, Std = 0.2300, ChiSquare = 4.0811e-04 1.S29 HB2 = 2.590(S), Expected = 3.88, Std = 0.2500, ChiSquare = 2.4695e-07 1.S29 HB3 = 2.590(S), Expected = 3.85, Std = 0.2700, ChiSquare = 3.0613e-06