M1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable C Shift Assignments>> C :: 176.154 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) S2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> D49 C Shift Assignments>> C :: 174.715 CA :: 56.680 CB :: 63.790 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.428 HA :: 4.460 HB2 :: 3.873 HB3 :: 3.823 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 117.164 Ave N Shift Values>> N :: 116.3(3.95) T3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.93 C 0.06 HN Overlap>> M56 C Shift Assignments>> C :: 174.160 CA :: 62.120 CB :: 69.560 CG2 :: 21.530 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.073 HA :: 4.271 HB :: 4.169 HG2 :: 1.113 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 115.159 Ave N Shift Values>> N :: 115.7(5.05) F4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.36 Y 0.36 C 0.26 C Shift Assignments>> C :: 175.005 CA :: 57.790 CB :: 39.480 CD1 :: 131.600 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.127 HA :: 4.530 HB2 :: 3.045 HB3 :: 2.972 HD1 :: 7.182 HD2 :: 7.182 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 122.167 Ave N Shift Values>> N :: 120.69(4.18) N5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.45 D 0.2 C 0.15 Y 0.06 F 0.05 L 0.04 C Shift Assignments>> C :: 174.517 CA :: 52.760 CB :: 39.000 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.207 HA :: 4.617 HB2 :: 2.780 HB3 :: 2.652 HD21 :: 7.535 HD22 :: 6.901 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 121.302 ND2 :: 112.833 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) A6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.7 M 0.25 C 0.02 C Shift Assignments>> C :: 177.818 CA :: 53.090 CB :: 19.310 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.204 HA :: 4.166 HB :: 1.378 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.642 Ave N Shift Values>> N :: 123.23(3.7) E7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.34 K 0.09 M 0.07 I 0.06 Q 0.05 C Shift Assignments>> C :: 176.999 CA :: 57.120 CB :: 29.910 CG :: 36.220 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.378 HA :: 4.267 HB2 :: 2.058 HB3 :: 1.964 HG2 :: 2.252 HG3 :: 2.252 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 118.935 Ave N Shift Values>> N :: 120.68(3.68) T8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.91 C 0.08 C Shift Assignments>> C :: 174.385 CA :: 61.620 CB :: 68.880 CG2 :: 21.690 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.933 HA :: 4.310 HB :: 4.234 HG2 :: 1.158 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 113.486 Ave N Shift Values>> N :: 115.7(5.05) A9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.75 M 0.2 C 0.02 C Shift Assignments>> C :: 177.395 CA :: 52.540 CB :: 19.170 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.155 HA :: 4.304 HB :: 1.379 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.873 Ave N Shift Values>> N :: 123.23(3.7) D10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.25 L 0.2 K 0.14 C 0.1 F 0.09 Y 0.07 N 0.07 R 0.04 C Shift Assignments>> C :: 176.062 CA :: 54.640 CB :: 41.280 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.266 HA :: 4.547 HB2 :: 2.662 HB3 :: 2.600 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 119.308 Ave N Shift Values>> N :: 120.73(4.2) N11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.43 D 0.19 C 0.15 Y 0.08 F 0.06 L 0.03 E 0.01 C Shift Assignments>> C :: 175.336 CA :: 53.170 CB :: 38.830 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.244 HA :: 4.694 HB2 :: 2.844 HB3 :: 2.777 HD21 :: 7.591 HD22 :: 6.901 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 117.983 ND2 :: 112.966 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) L12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.61 C 0.3 R 0.05 G 0.01 A 0.01 HN Overlap>> E16 C Shift Assignments>> C :: 177.686 CA :: 55.890 CB :: 42.110 CG :: 26.750 CD1 :: 24.930 CD2 :: 23.430 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.171 HA :: 4.203 HB2 :: 1.648 HB3 :: 1.552 HG :: 1.605 HD1 :: 0.869 HD2 :: 0.806 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 122.059 Ave N Shift Values>> N :: 121.98(4.07) E13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.35 K 0.08 I 0.07 M 0.07 Q 0.04 C Shift Assignments>> C :: 176.920 CA :: 57.340 CB :: 30.030 CG :: 36.350 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.363 HA :: 4.159 HB2 :: 2.025 HB3 :: 1.938 HG2 :: 2.277 HG3 :: 2.228 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.121 Ave N Shift Values>> N :: 120.68(3.68) D14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.22 L 0.18 K 0.13 C 0.12 F 0.12 Y 0.1 N 0.06 R 0.02 I 0.01 C Shift Assignments>> C :: 177.157 CA :: 55.320 CB :: 40.960 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.183 HA :: 4.534 HB2 :: 2.724 HB3 :: 2.606 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.370 Ave N Shift Values>> N :: 120.73(4.2) I15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.8 C 0.19 HN Overlap>> F71 R84 C Shift Assignments>> C :: 176.695 CA :: 62.790 CB :: 38.510 CG1 :: 27.550 CG2 :: 17.530 CD1 :: 13.180 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.894 HA :: 4.002 HB :: 1.871 HG2 :: 0.851 HG12 :: 1.423 HG13 :: 1.169 HD1 :: 0.767 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 120.371 Ave N Shift Values>> N :: 121.6(4.72) E16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.34 I 0.12 K 0.08 M 0.04 Q 0.03 HN Overlap>> L12 C Shift Assignments>> C :: 177.488 CA :: 58.070 CB :: 29.650 CG :: 36.470 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.221 HA :: 3.910 HB2 :: 2.140 HB3 :: 2.084 HG2 :: 2.154 HG3 :: 2.052 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 122.099 Ave N Shift Values>> N :: 120.68(3.68) K17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.38 C 0.37 R 0.2 M 0.02 HN Overlap>> E25 C Shift Assignments>> C :: 177.989 CA :: 57.910 CB :: 32.480 CG :: 25.140 CD :: 29.030 CE :: 42.030 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.952 HA :: 4.052 HB2 :: 1.778 HB3 :: 1.778 HG2 :: 1.448 HG3 :: 1.353 HD2 :: 1.638 HD3 :: 1.638 HE2 :: 2.933 HE3 :: 2.933 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 120.053 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) Q18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 K 0.25 Q 0.24 R 0.1 E 0.07 M 0.04 C Shift Assignments>> C :: 177.171 CA :: 57.400 CB :: 28.450 CG :: 33.360 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.133 HA :: 4.027 HB2 :: 1.893 HB3 :: 1.817 HG2 :: 2.084 HG3 :: 1.996 HE21 :: 7.229 HE22 :: 6.748 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 118.094 NE2 :: 111.633 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) F19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.36 Y 0.35 C 0.28 HN Overlap>> V21 C Shift Assignments>> C :: 176.233 CA :: 58.090 CB :: 39.050 CD1 :: 131.483 CE1 :: 131.249 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.869 HA :: 4.558 HB2 :: 3.241 HB3 :: 2.945 HD1 :: 7.183 HD2 :: 7.183 HE1 :: 7.032 HE2 :: 7.032 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 117.750 Ave N Shift Values>> N :: 120.69(4.18) A20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.48 A 0.44 C 0.03 I 0.02 HN Overlap>> L33 C Shift Assignments>> C :: 178.979 CA :: 54.820 CB :: 18.660 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.862 HA :: 4.074 HB :: 1.437 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.544 Ave N Shift Values>> N :: 123.23(3.7) V21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.94 C 0.05 HN Overlap>> F19 C Shift Assignments>> C :: 178.319 CA :: 65.670 CB :: 31.880 CG1 :: 20.950 CG2 :: 21.940 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.939 HA :: 3.737 HB :: 2.105 HG1 :: 0.922 HG2 :: 1.012 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 117.798 Ave N Shift Values>> N :: 121.02(4.96) V22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.92 C 0.07 C Shift Assignments>> C :: 178.200 CA :: 65.210 CB :: 31.830 CG1 :: 21.140 CG2 :: 21.870 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.734 HA :: 3.887 HB :: 2.175 HG1 :: 1.004 HG2 :: 1.087 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 119.354 Ave N Shift Values>> N :: 121.02(4.96) A23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.51 M 0.44 C 0.02 I 0.01 C Shift Assignments>> C :: 181.277 CA :: 54.170 CB :: 17.970 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.149 HA :: 4.461 HB :: 1.459 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.927 Ave N Shift Values>> N :: 123.23(3.7) V24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.96 C 0.03 C Shift Assignments>> C :: 177.976 CA :: 66.900 CB :: 31.780 CG1 :: 21.130 CG2 :: 22.950 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.987 HA :: 3.523 HB :: 2.109 HG1 :: 0.886 HG2 :: 1.009 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 121.062 Ave N Shift Values>> N :: 121.02(4.96) E25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.33 I 0.22 K 0.06 M 0.02 Q 0.02 HN Overlap>> K17 A128 C Shift Assignments>> C :: 179.270 CA :: 59.350 CB :: 29.400 CG :: 36.480 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.956 HA :: 4.060 HB2 :: 2.092 HB3 :: 2.041 HG2 :: 2.400 HG3 :: 2.400 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.121 Ave N Shift Values>> N :: 120.68(3.68) Q26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 K 0.22 R 0.21 P 0.08 Q 0.03 V 0.02 M 0.01 C Shift Assignments>> C :: 178.016 CA :: 59.990 CB :: 25.960 CG :: 32.120 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.184 HA :: 3.884 HB2 :: 1.921 HB3 :: 1.921 HG2 :: 2.495 HG3 :: 2.495 HE21 :: 7.475 HE22 :: 7.475 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 120.643 NE2 :: 107.133 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) A27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.52 A 0.36 C 0.04 I 0.03 V 0.01 C Shift Assignments>> C :: 179.019 CA :: 55.330 CB :: 18.970 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.284 HA :: 3.770 HB :: 0.879 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.428 Ave N Shift Values>> N :: 123.23(3.7) E28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.33 I 0.21 K 0.06 M 0.02 Q 0.02 C Shift Assignments>> C :: 179.890 CA :: 59.720 CB :: 29.640 CG :: 36.310 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.092 HA :: 3.901 HB2 :: 1.978 HB3 :: 1.978 HG2 :: 2.405 HG3 :: 2.368 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 117.850 Ave N Shift Values>> N :: 120.68(3.68) T29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 C 0.01 C Shift Assignments>> C :: 176.260 CA :: 66.800 CB :: 68.830 CG2 :: 21.810 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.331 HA :: 3.885 HB :: 4.324 HG2 :: 1.301 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 116.595 Ave N Shift Values>> N :: 115.7(5.05) Y30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.36 Y 0.2 C 0.19 F 0.18 E 0.03 C Shift Assignments>> C :: 176.445 CA :: 60.740 CB :: 38.280 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.266 HA :: 4.591 HB2 :: 3.281 HB3 :: 3.098 HD1 :: 6.998 HD2 :: 6.998 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 124.171 Ave N Shift Values>> N :: 120.79(4.69) W31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 W 0.42 H 0.02 C Shift Assignments>> C :: 178.610 CA :: 60.510 CB :: 29.330 CD1 :: 127.497 CZ2 :: 115.311 CH2 :: 125.741 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 8.752 HA :: 3.976 HB2 :: 3.359 HB3 :: 3.227 HD1 :: 7.120 HE1 :: 10.307 HZ2 :: 7.459 HH2 :: 7.194 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 118.443 NE1 :: 130.306 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) K32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.37 C 0.36 R 0.23 G 0.01 M 0.01 C Shift Assignments>> C :: 180.762 CA :: 59.370 CB :: 31.900 CG :: 25.510 CD :: 29.190 CE :: 42.310 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.128 HA :: 3.842 HB2 :: 1.969 HB3 :: 1.910 HG2 :: 1.630 HG3 :: 1.488 HD2 :: 1.695 HD3 :: 1.695 HE2 :: 2.970 HE3 :: 2.970 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 115.366 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) L33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.37 R 0.03 HN Overlap>> A20 C Shift Assignments>> C :: 178.504 CA :: 58.840 CB :: 41.740 CG :: 26.580 CD1 :: 23.910 CD2 :: 24.910 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.888 HA :: 4.038 HB2 :: 1.869 HB3 :: 1.869 HG :: 1.676 HD1 :: 0.964 HD2 :: 0.967 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 123.498 Ave N Shift Values>> N :: 121.98(4.07) L34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 C 0.34 A 0.03 R 0.02 G 0.01 C Shift Assignments>> C :: 177.620 CA :: 56.350 CB :: 41.850 CG :: 25.610 CD1 :: 25.400 CD2 :: 22.390 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.672 HA :: 4.091 HB2 :: 1.308 HB3 :: 0.627 HG :: 0.922 HD1 :: 0.286 HD2 :: 0.640 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.162 Ave N Shift Values>> N :: 121.98(4.07) T35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.95 C 0.04 C Shift Assignments>> C :: 175.903 CA :: 62.990 CB :: 70.390 CG2 :: 21.450 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.349 HA :: 3.996 HB :: 4.186 HG1 :: 5.269 HG2 :: 0.783 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 103.864 Ave N Shift Values>> N :: 115.7(5.05) S36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.96 T 0.03 C Shift Assignments>> C :: 173.249 CA :: 59.890 CB :: 65.170 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.828 HA :: 4.457 HB2 :: 3.971 HB3 :: 3.846 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 117.890 Ave N Shift Values>> N :: 116.3(3.95) V37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 M 0.2 V 0.13 I 0.03 A 0.01 C Shift Assignments>> CA :: 58.320 CB :: 35.660 CG1 :: 20.740 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.287 HA :: 4.376 HB :: 1.824 HG1 :: 0.791 HG2 :: 0.791 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 125.566 Ave N Shift Values>> N :: 121.02(4.96) P38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.68 C 0.31 C Shift Assignments>> C :: 179.666 CA :: 61.980 CB :: 31.030 CG :: 28.090 CD :: 50.070 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.380 HB2 :: 1.964 HB3 :: 1.756 HG2 :: 1.954 HG3 :: 1.954 HD2 :: 3.591 HD3 :: 3.521 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) G39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.62 C 0.24 P 0.04 A 0.03 L 0.02 N 0.01 C Shift Assignments>> C :: 175.441 CA :: 47.520 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.024 HA2 :: 3.650 HA3 :: 3.476 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 114.079 Ave N Shift Values>> N :: 109.91(4.29) S40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.616 CA :: 60.420 CB :: 62.160 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.138 HA :: 4.234 HB2 :: 4.074 HB3 :: 4.074 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 114.131 Ave N Shift Values>> N :: 116.3(3.95) K41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.34 R 0.21 M 0.02 C Shift Assignments>> C :: 176.075 CA :: 55.520 CB :: 32.520 CG :: 25.160 CD :: 28.880 CE :: 42.060 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.421 HA :: 4.458 HB2 :: 1.694 HB3 :: 1.694 HG2 :: 1.398 HG3 :: 1.325 HD2 :: 1.568 HD3 :: 1.568 HE2 :: 2.925 HE3 :: 2.925 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 121.208 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) L42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.45 G 0.3 C 0.2 R 0.02 C Shift Assignments>> C :: 176.959 CA :: 54.700 CB :: 44.560 CG :: 26.620 CD1 :: 25.330 CD2 :: 24.460 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.718 HA :: 4.411 HB2 :: 1.717 HB3 :: 1.488 HG :: 1.568 HD1 :: 0.837 HD2 :: 0.799 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.790 Ave N Shift Values>> N :: 121.98(4.07) R43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.47 C 0.33 K 0.09 G 0.09 C Shift Assignments>> C :: 176.471 CA :: 53.950 CB :: 31.150 CG :: 26.690 CD :: 43.270 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.370 HA :: 4.743 HB2 :: 1.686 HB3 :: 1.648 HG2 :: 1.572 HG3 :: 1.572 HD2 :: 3.186 HD3 :: 3.105 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 123.271 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) L44 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.42 C 0.29 R 0.2 G 0.06 C Shift Assignments>> C :: 176.867 CA :: 57.080 CB :: 43.190 CG :: 27.550 CD1 :: 25.900 CD2 :: 23.500 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 10.397(S) HA :: 4.341 HB2 :: 1.795 HB3 :: 1.564 HG :: 1.894 HD1 :: 0.942 HD2 :: 1.023 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 128.250 Ave N Shift Values>> N :: 121.98(4.07) T45 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.61 T 0.35 A 0.03 C Shift Assignments>> C :: 175.071 CA :: 59.840 CB :: 73.750 CG2 :: 19.810 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 9.482 HA :: 4.629 HB :: 4.167 HG1 :: 5.658 HG2 :: 0.159(S) Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 113.922 Ave N Shift Values>> N :: 115.7(5.05) K46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.36 C 0.34 R 0.24 M 0.02 C Shift Assignments>> C :: 175.930 CA :: 56.750 CB :: 31.900 CG :: 25.190 CD :: 29.030 CE :: 42.130 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.628 HA :: 4.050 HB2 :: 1.378 HB3 :: 1.108 HG2 :: 1.242 HG3 :: 1.181 HD2 :: 1.568 HD3 :: 1.568 HE2 :: 2.942 HE3 :: 2.942 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 118.123 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) F47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.42 F 0.3 C 0.27 HN Overlap>> E80 C Shift Assignments>> C :: 176.009 CA :: 56.010 CB :: 40.700 CD1 :: 132.069 CE1 :: 132.069 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.775 HA :: 5.142 HB2 :: 3.664 HB3 :: 2.385 HD1 :: 7.183 HD2 :: 7.183 HE1 :: 7.435 HE2 :: 7.435 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 117.792 Ave N Shift Values>> N :: 120.69(4.18) D48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.27 Y 0.27 C 0.19 I 0.16 L 0.03 D 0.02 E 0.01 K 0.01 C Shift Assignments>> C :: 178.134 CA :: 58.880 CB :: 39.520 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.674 HA :: 4.094 HB2 :: 2.691 HB3 :: 2.537 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 121.121 Ave N Shift Values>> N :: 120.73(4.2) D49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.27 F 0.26 C 0.2 I 0.11 D 0.04 L 0.04 E 0.02 N 0.01 K 0.01 HN Overlap>> S2 C Shift Assignments>> C :: 178.134 CA :: 58.140 CB :: 39.410 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.419 HA :: 4.450 HB2 :: 2.800 HB3 :: 2.684 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 117.172 Ave N Shift Values>> N :: 120.73(4.2) E50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 E 0.34 I 0.21 M 0.04 K 0.02 C Shift Assignments>> C :: 181.184 CA :: 59.780 CB :: 30.450 CG :: 36.730 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.267 HA :: 4.362 HB2 :: 2.382 HB3 :: 2.382 HG2 :: 2.530 HG3 :: 2.414 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 122.289 Ave N Shift Values>> N :: 120.68(3.68) I51 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.95 C 0.04 C Shift Assignments>> C :: 177.342 CA :: 66.660 CB :: 37.480 CG1 :: 28.640 CG2 :: 16.570 CD1 :: 13.650 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.899 HA :: 3.664 HB :: 1.820 HG2 :: 0.716 HG12 :: 1.395 HG13 :: -0.475(S) HD1 :: 0.412 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 122.515 Ave N Shift Values>> N :: 121.6(4.72) Y52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.66 C 0.32 C Shift Assignments>> C :: 176.959 CA :: 62.920 CB :: 38.730 CD1 :: 132.186 CE1 :: 118.722 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.696 HA :: 4.303 HB2 :: 3.171 HB3 :: 3.171 HD1 :: 7.124 HD2 :: 7.124 HE1 :: 6.868 HE2 :: 6.868 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 119.866 Ave N Shift Values>> N :: 120.79(4.69) E53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.33 I 0.21 K 0.06 Q 0.02 M 0.02 HN Overlap>> C119 C Shift Assignments>> C :: 180.234 CA :: 59.500 CB :: 29.450 CG :: 36.380 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.873 HA :: 3.906 HB2 :: 2.251 HB3 :: 2.150 HG2 :: 2.530 HG3 :: 2.442 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 117.321 Ave N Shift Values>> N :: 120.68(3.68) N54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.24 Y 0.21 C 0.16 L 0.1 K 0.09 D 0.08 I 0.06 N 0.01 R 0.01 C Shift Assignments>> C :: 176.775 CA :: 57.580 CB :: 40.410 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.221 HA :: 4.603 HB2 :: 3.281 HB3 :: 2.640 HD21 :: 8.076 HD22 :: 7.541 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 116.066 ND2 :: 114.333 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) F55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.4 C 0.3 F 0.29 C Shift Assignments>> C :: 177.461 CA :: 58.850 CB :: 38.960 CD1 :: 129.917 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 9.302 HA :: 4.452 HB2 :: 3.295 HB3 :: 3.295 HD1 :: 6.538 HD2 :: 6.538 HE1 :: 7.388 HE2 :: 7.388 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 124.049 Ave N Shift Values>> N :: 120.69(4.18) M56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 M 0.35 E 0.13 Q 0.1 K 0.01 HN Overlap>> T3 C Shift Assignments>> C :: 178.517 CA :: 56.070 CB :: 34.550 CG :: 32.700 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.113 HA :: 3.867 HB2 :: 1.922 HB3 :: 1.410 HG2 :: 2.302 HG3 :: 1.561 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 115.200 Ave N Shift Values>> N :: 120.1(3.88) E57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.35 I 0.12 M 0.07 K 0.05 Q 0.03 HN Overlap>> Q125 C Shift Assignments>> C :: 175.718 CA :: 58.870 CB :: 30.450 CG :: 36.260 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.389 HA :: 3.966 HB2 :: 2.119 HB3 :: 2.080 HG2 :: 2.273 HG3 :: 2.134 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 115.427 Ave N Shift Values>> N :: 120.68(3.68) R58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.39 C 0.33 K 0.23 G 0.02 HN Overlap>> K94 C Shift Assignments>> C :: 176.220 CA :: 56.350 CB :: 30.200 CG :: 28.190 CD :: 42.610 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.130 HA :: 3.993 HB2 :: 1.901 HB3 :: 1.634 HG2 :: 1.894 HG3 :: 1.697 HD2 :: 3.204 HD3 :: 3.104 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 115.491 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) F59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.43 C 0.33 F 0.22 HN Overlap>> E66 C Shift Assignments>> CA :: 54.700 CB :: 38.790 CD1 :: 131.765 CE1 :: 128.637 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.286 HA :: 4.232 HB2 :: 2.772 HB3 :: 2.772 HD1 :: 6.888 HD2 :: 6.888 HE1 :: 6.075 HE2 :: 6.075 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 118.413 Ave N Shift Values>> N :: 120.69(4.18) P60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.87 C 0.12 C Shift Assignments>> C :: 179.098 CA :: 64.110 CB :: 31.120 CG :: 27.010 CD :: 49.730 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.419 HB2 :: 2.223 HB3 :: 1.887 HG2 :: 1.891 HG3 :: 1.796 HD2 :: 3.179 HD3 :: 3.062 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) E61 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.34 Q 0.23 K 0.19 R 0.1 E 0.06 I 0.03 C Shift Assignments>> C :: 178.187 CA :: 58.370 CB :: 27.120 CG :: 33.870 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 10.659(S) HA :: 4.060 HB2 :: 1.765 HB3 :: 1.636 HG2 :: 1.687 HG3 :: 1.130(S) Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 123.648 Ave N Shift Values>> N :: 120.68(3.68) Y62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 Y 0.39 H 0.02 C Shift Assignments>> C :: 173.632 CA :: 58.330 CB :: 36.000 CD1 :: 133.382 CE1 :: 117.429 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 7.918 HA :: 4.429 HB2 :: 2.886 HB3 :: 2.886 HD1 :: 6.729 HD2 :: 6.729 HE1 :: 6.852 HE2 :: 6.852 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 118.890 Ave N Shift Values>> N :: 120.79(4.69) K63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 R 0.31 K 0.28 M 0.01 HN Overlap>> K95 C Shift Assignments>> C :: 177.910 CA :: 58.210 CB :: 32.520 CG :: 26.850 CD :: 29.540 CE :: 42.000 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.527 HA :: 4.167 HB2 :: 1.873 HB3 :: 1.704 HG2 :: 1.610 HG3 :: 1.479 HD2 :: 1.638 HD3 :: 1.638 HE2 :: 2.930 HE3 :: 2.930 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 117.436 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) D64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 N 0.17 L 0.16 C 0.11 K 0.07 F 0.05 Y 0.04 R 0.02 C Shift Assignments>> C :: 176.458 CA :: 52.650 CB :: 41.160 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 6.750 HA :: 4.605 HB2 :: 2.866 HB3 :: 2.598 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 117.112 Ave N Shift Values>> N :: 120.73(4.2) V65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.92 C 0.07 C Shift Assignments>> C :: 177.131 CA :: 65.260 CB :: 31.770 CG1 :: 20.900 CG2 :: 22.130 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.426 HA :: 3.420 HB :: 1.882 HG1 :: 0.890 HG2 :: 0.652 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 127.675 Ave N Shift Values>> N :: 121.02(4.96) E66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.32 I 0.19 K 0.09 Q 0.03 M 0.01 HN Overlap>> F59 C Shift Assignments>> C :: 179.376 CA :: 59.050 CB :: 29.030 CG :: 36.230 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.345 HA :: 4.060 HB2 :: 2.122 HB3 :: 2.073 HG2 :: 2.477 HG3 :: 2.330 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 118.338 Ave N Shift Values>> N :: 120.68(3.68) R67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 R 0.3 K 0.24 L 0.05 C Shift Assignments>> C :: 176.616 CA :: 56.570 CB :: 29.600 CG :: 27.170 CD :: 41.400 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.862 HA :: 4.665 HB2 :: 2.333 HB3 :: 2.333 HG2 :: 1.999 HG3 :: 1.642 HD2 :: 3.376 HD3 :: 3.261 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 116.467 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) V68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.75 C 0.24 C Shift Assignments>> C :: 177.712 CA :: 62.980 CB :: 32.770 CG1 :: 23.160 CG2 :: 22.230 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.067 HA :: 4.570 HB :: 2.386 HG1 :: 1.135 HG2 :: 1.192 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 110.121 Ave N Shift Values>> N :: 121.02(4.96) K69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 K 0.36 R 0.18 C Shift Assignments>> C :: 176.233 CA :: 60.910 CB :: 33.430 CG :: 25.640 CD :: 29.850 CE :: 41.820 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.304 HA :: 3.815 HB2 :: 2.133 HB3 :: 2.101 HG2 :: 1.588 HG3 :: 1.553 HD2 :: 1.826 HD3 :: 1.826 HE2 :: 3.032 HE3 :: 3.032 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 123.439 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) K70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 K 0.34 R 0.21 M 0.01 G 0.01 C Shift Assignments>> C :: 172.655 CA :: 54.760 CB :: 35.840 CG :: 24.970 CD :: 29.480 CE :: 42.000 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.711 HA :: 5.514 HB2 :: 1.815 HB3 :: 1.543 HG2 :: 1.326 HG3 :: 1.213 HD2 :: 1.620 HD3 :: 1.578 HE2 :: 2.892 HE3 :: 2.892 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 118.750 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) F71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.47 C 0.29 Y 0.22 G 0.01 HN Overlap>> I15 R84 C Shift Assignments>> C :: 173.712 CA :: 55.000 CB :: 41.890 CD1 :: 131.876 CE1 :: 130.000 CZ :: 127.745 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.950 HA :: 5.381 HB2 :: 3.272 HB3 :: 3.157 HD1 :: 6.700 HD2 :: 6.700 HE1 :: 6.542 HE2 :: 6.542 HZ :: 6.205 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 120.319 Ave N Shift Values>> N :: 120.69(4.18) T72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.69 C 0.3 C Shift Assignments>> C :: 174.464 CA :: 58.891 CB :: 71.440 CG2 :: 22.090 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.354 HA :: 4.687 HB :: 4.569 HG2 :: 1.322 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 110.645 Ave N Shift Values>> N :: 115.7(5.05) E73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.3 I 0.29 K 0.04 M 0.01 Q 0.01 C Shift Assignments>> C :: 178.689 CA :: 60.190 CB :: 29.580 CG :: 36.570 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.173 HA :: 3.932 HB2 :: 2.019 HB3 :: 2.019 HG2 :: 2.312 HG3 :: 2.238 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 124.596 Ave N Shift Values>> N :: 120.68(3.68) E74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 I 0.32 E 0.28 K 0.03 M 0.01 C Shift Assignments>> C :: 179.508 CA :: 60.200 CB :: 29.520 CG :: 36.760 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.884 HA :: 3.937 HB2 :: 2.095 HB3 :: 2.036 HG2 :: 2.484 HG3 :: 2.338 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 115.885 Ave N Shift Values>> N :: 120.68(3.68) E75 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> E 0.34 C 0.33 K 0.1 I 0.09 Q 0.06 M 0.05 C Shift Assignments>> C :: 177.580 CA :: 58.020 CB :: 29.690 CG :: 36.050 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.926 HA :: 4.475 HB2 :: 2.559 HB3 :: 2.157 HG2 :: 3.362(S) HG3 :: 2.252 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 116.746 Ave N Shift Values>> N :: 120.68(3.68) L76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.47 C 0.28 R 0.17 A 0.02 G 0.02 C Shift Assignments>> C :: 178.042 CA :: 56.030 CB :: 42.570 CG :: 27.230 CD1 :: 26.170 CD2 :: 22.550 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.646 HA :: 4.601 HB2 :: 1.919 HB3 :: 1.418 HG :: 1.757 HD1 :: 0.493 HD2 :: 0.654 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 117.443 Ave N Shift Values>> N :: 121.98(4.07) K77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 K 0.33 R 0.26 M 0.02 G 0.01 C Shift Assignments>> C :: 176.629 CA :: 56.420 CB :: 34.420 CG :: 25.400 CD :: 29.510 CE :: 42.500 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.453 HA :: 4.606 HB2 :: 2.184 HB3 :: 1.747 HG2 :: 1.550 HG3 :: 1.403 HD2 :: 1.720 HD3 :: 1.681 HE2 :: 3.032 HE3 :: 3.032 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 113.776 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) T78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.89 C 0.1 C Shift Assignments>> C :: 174.517 CA :: 61.500 CB :: 70.441 CG2 :: 22.260 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.067 HA :: 4.461 HB :: 4.836 HG1 :: 5.960 HG2 :: 1.511 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 110.401 Ave N Shift Values>> N :: 115.7(5.05) K79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.42 C 0.4 R 0.13 M 0.01 G 0.01 HN Overlap>> L105 C Shift Assignments>> C :: 179.600 CA :: 60.700 CB :: 32.350 CG :: 24.930 CD :: 29.510 CE :: 42.030 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.995 HA :: 3.991 HB2 :: 2.019 HB3 :: 1.879 HG2 :: 1.606 HG3 :: 1.466 HD2 :: 1.764 HD3 :: 1.764 HE2 :: 3.053 HE3 :: 3.053 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 122.735 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) E80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.32 I 0.19 K 0.09 Q 0.03 M 0.01 HN Overlap>> F47 C Shift Assignments>> C :: 178.966 CA :: 59.250 CB :: 29.090 CG :: 36.150 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.829 HA :: 4.128 HB2 :: 2.170 HB3 :: 1.958 HG2 :: 2.371 HG3 :: 2.371 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 117.872 Ave N Shift Values>> N :: 120.68(3.68) A81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.57 A 0.3 C 0.04 I 0.04 V 0.02 C Shift Assignments>> C :: 180.220 CA :: 55.730 CB :: 18.880 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.178 HA :: 4.178 HB :: 1.761 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.997 Ave N Shift Values>> N :: 123.23(3.7) K82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 K 0.26 R 0.25 G 0.01 C Shift Assignments>> C :: 179.943 CA :: 61.210 CB :: 32.610 CG :: 26.550 CD :: 29.930 CE :: 41.800 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.989 HA :: 4.142 HB2 :: 2.008 HB3 :: 1.879 HG2 :: 1.860 HG3 :: 1.608 HD2 :: 1.775 HD3 :: 1.775 HE2 :: 3.045 HE3 :: 3.045 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 117.582 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) E83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 E 0.31 K 0.12 I 0.12 Q 0.07 M 0.02 C Shift Assignments>> C :: 178.636 CA :: 58.850 CB :: 29.220 CG :: 35.730 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.548 HA :: 4.320 HB2 :: 2.210 HB3 :: 2.101 HG2 :: 2.391 HG3 :: 2.391 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.232 Ave N Shift Values>> N :: 120.68(3.68) R84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 G 0.34 R 0.23 K 0.01 HN Overlap>> I15 F71 C Shift Assignments>> C :: 180.828 CA :: 60.200 CB :: 32.030 CG :: 27.490 CD :: 44.540 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.853 HA :: 3.874 HB2 :: 1.764 HB3 :: 1.407 HG2 :: 1.964 HG3 :: 1.374 HD2 :: 2.937 HD3 :: 2.937 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 120.371 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) W85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.49 C 0.48 H 0.01 C Shift Assignments>> C :: 176.722 CA :: 60.990 CB :: 28.580 CD1 :: 128.674 CZ2 :: 114.161 CH2 :: 124.966 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 9.443 HA :: 4.385 HB2 :: 3.208 HB3 :: 2.959 HD1 :: 7.410 HE1 :: 10.439 HZ2 :: 6.703 HH2 :: 5.995 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 121.173 NE1 :: 129.865 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) R86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.45 C 0.37 G 0.11 K 0.05 C Shift Assignments>> C :: 179.785 CA :: 60.280 CB :: 29.870 CG :: 27.540 CD :: 43.380 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.214 HA :: 3.906 HB2 :: 2.087 HB3 :: 2.087 HG2 :: 1.901 HG3 :: 1.737 HD2 :: 3.398 HD3 :: 3.306 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 118.907 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) K87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.36 C 0.36 R 0.24 G 0.01 M 0.01 C Shift Assignments>> C :: 179.204 CA :: 59.460 CB :: 32.410 CG :: 25.780 CD :: 29.290 CE :: 42.280 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.568 HA :: 4.127 HB2 :: 1.966 HB3 :: 1.857 HG2 :: 1.683 HG3 :: 1.482 HD2 :: 1.690 HD3 :: 1.650 HE2 :: 2.961 HE3 :: 2.961 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 117.059 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) F88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.42 F 0.37 C 0.19 C Shift Assignments>> C :: 177.263 CA :: 61.270 CB :: 40.120 CD1 :: 132.400 CE1 :: 129.534 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.944 HA :: 4.236 HB2 :: 3.744 HB3 :: 3.188 HD1 :: 7.432 HD2 :: 7.432 HE1 :: 7.054 HE2 :: 7.054 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 122.892 Ave N Shift Values>> N :: 120.69(4.18) F89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 F 0.31 Y 0.28 C Shift Assignments>> C :: 178.781 CA :: 57.890 CB :: 37.100 CD1 :: 131.049 CE1 :: 130.983 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 9.072 HA :: 4.506 HB2 :: 3.627 HB3 :: 3.392 HD1 :: 7.615 HD2 :: 7.615 HE1 :: 7.437 HE2 :: 7.437 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 116.711 Ave N Shift Values>> N :: 120.69(4.18) T90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 C 0.01 C Shift Assignments>> C :: 175.864 CA :: 65.670 CB :: 69.410 CG2 :: 21.790 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.637 HA :: 3.977 HB :: 4.198 HG2 :: 1.376 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 109.895 Ave N Shift Values>> N :: 115.7(5.05) I91 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.87 C 0.12 C Shift Assignments>> C :: 177.672 CA :: 63.960 CB :: 38.050 CG1 :: 27.420 CG2 :: 16.490 CD1 :: 13.110 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.215 HA :: 3.421 HB :: 1.325 HG2 :: -0.179(S) HG12 :: 1.440 HG13 :: 0.883 HD1 :: 0.634 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 118.872 Ave N Shift Values>> N :: 121.6(4.72) F92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.45 C 0.26 Y 0.26 G 0.01 C Shift Assignments>> C :: 175.758 CA :: 59.340 CB :: 42.150 CE1 :: 130.336 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 6.808 HA :: 4.290 HB2 :: 3.277 HB3 :: 2.318 HD1 :: 6.691 HD2 :: 6.691 HE1 :: 7.277 HE2 :: 7.277 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 113.635 Ave N Shift Values>> N :: 120.69(4.18) E93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 E 0.2 K 0.19 Q 0.18 I 0.07 R 0.02 M 0.01 C Shift Assignments>> C :: 178.649 CA :: 59.040 CB :: 28.700 CG :: 34.730 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.418 HA :: 3.230 HB2 :: 1.733 HB3 :: 1.578 HG2 :: 2.228 HG3 :: 1.968 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.957 Ave N Shift Values>> N :: 120.68(3.68) K94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.37 C 0.33 R 0.26 M 0.01 HN Overlap>> R58 C Shift Assignments>> C :: 177.078 CA :: 56.070 CB :: 32.380 CG :: 25.270 CD :: 28.390 CE :: 42.150 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.129 HA :: 4.393 HB2 :: 1.894 HB3 :: 1.617 HG2 :: 1.452 HG3 :: 1.371 HD2 :: 1.627 HD3 :: 1.627 HE2 :: 2.978 HE3 :: 2.978 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 115.491 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) K95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 K 0.38 R 0.14 M 0.02 HN Overlap>> K63 C Shift Assignments>> C :: 175.190 CA :: 57.230 CB :: 35.160 CG :: 24.910 CD :: 29.640 CE :: 41.450 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.489 HA :: 4.348 HB2 :: 1.465 HB3 :: 1.300 HG2 :: 1.090 HG3 :: 1.090 HD2 :: 1.192 HD3 :: 1.044 HE2 :: 2.561 HE3 :: 2.428 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 117.443 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) I96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 I 0.46 A 0.01 C Shift Assignments>> C :: 175.613 CA :: 58.450 CB :: 36.740 CG1 :: 27.220 CG2 :: 17.280 CD1 :: 12.430 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.808 HA :: 4.489 HB :: 2.103 HG2 :: 1.062 HG12 :: 1.437 HG13 :: 1.318 HD1 :: 0.774 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 119.674 Ave N Shift Values>> N :: 121.6(4.72) E97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.33 I 0.22 K 0.05 M 0.02 Q 0.01 C Shift Assignments>> C :: 176.563 CA :: 59.360 CB :: 29.530 CG :: 36.600 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.982 HA :: 4.187 HB2 :: 2.098 HB3 :: 2.045 HG2 :: 2.336 HG3 :: 2.336 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 125.903 Ave N Shift Values>> N :: 120.68(3.68) D98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.49 D 0.17 C 0.15 Y 0.06 F 0.05 L 0.03 HN Overlap>> R133 C Shift Assignments>> C :: 177.963 CA :: 52.570 CB :: 38.730 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.870 HA :: 3.929 HB2 :: 2.308 HB3 :: 2.075 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 116.711 Ave N Shift Values>> N :: 120.73(4.2) Y99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.55 C 0.43 C Shift Assignments>> C :: 173.263 CA :: 61.360 CB :: 37.100 CD1 :: 133.100 CE1 :: 118.600 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 7.421 HA :: 3.650 HB2 :: 2.786 HB3 :: 2.786 HD1 :: 6.930 HD2 :: 6.930 HE1 :: 6.769 HE2 :: 6.769 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 114.515 Ave N Shift Values>> N :: 120.79(4.69) N100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.6 C 0.23 D 0.06 Y 0.03 F 0.02 M 0.01 C Shift Assignments>> C :: 175.256 CA :: 50.760 CB :: 37.650 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.228 HA :: 4.200 HB2 :: 2.187 HB3 :: 1.695 HD21 :: 7.229 HD22 :: 6.570 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 115.909 ND2 :: 109.500 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) F101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.36 C 0.34 F 0.28 C Shift Assignments>> CA :: 57.080 CB :: 38.340 CD1 :: 130.517 CE1 :: 131.834 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.387 HA :: 4.105 HB2 :: 2.880 HB3 :: 2.737 HD1 :: 7.066 HD2 :: 7.066 HE1 :: 7.373 HE2 :: 7.373 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 120.180 Ave N Shift Values>> N :: 120.69(4.18) G102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.64 C 0.24 P 0.03 A 0.02 L 0.02 N 0.01 C Shift Assignments>> C :: 173.289 CA :: 47.490 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> HA2 :: 3.730 HA3 :: 3.383 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) T103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.61 C 0.38 C Shift Assignments>> C :: 170.847 CA :: 61.440 CB :: 73.700 CG2 :: 20.780 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.616 HA :: 4.335 HB :: 2.986 HG2 :: 0.574 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 122.829 Ave N Shift Values>> N :: 115.7(5.05) L104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.44 C 0.23 G 0.18 R 0.09 A 0.04 C Shift Assignments>> C :: 176.629 CA :: 54.559 CB :: 44.020 CG :: 27.740 CD1 :: 24.980 CD2 :: 22.900 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.173 HA :: 4.800 HB2 :: 1.941 HB3 :: 1.241 HG :: 1.417 HD1 :: 0.749 HD2 :: 0.563 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 126.141 Ave N Shift Values>> N :: 121.98(4.07) L105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.67 G 0.27 L 0.03 HN Overlap>> K79 C Shift Assignments>> C :: 175.692 CA :: 53.820 CB :: 47.340 CG :: 26.920 CD1 :: 25.000 CD2 :: 28.230 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.031 HA :: 4.961 HB2 :: 1.795 HB3 :: 1.283 HG :: 1.611 HD1 :: 1.272 HD2 :: 0.423 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 122.707 Ave N Shift Values>> N :: 121.98(4.07) R106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.16 R 0.14 C 0.13 M 0.11 W 0.11 Q 0.11 E 0.1 K 0.08 C Shift Assignments>> C :: 179.125 CA :: 55.130 CB :: 30.760 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.631 HA :: 4.872 HB2 :: 1.556 HB3 :: 1.556 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 124.921 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) T107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.89 C 0.08 S 0.01 C Shift Assignments>> C :: 172.008 CA :: 62.390 CB :: 67.640 CG2 :: 21.850 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.813 HA :: 2.972 HB :: 4.110 HG2 :: 0.718 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 115.735 Ave N Shift Values>> N :: 115.7(5.05) D108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.39 L 0.2 C 0.12 D 0.11 R 0.1 N 0.01 K 0.01 F 0.01 C Shift Assignments>> C :: 176.946 CA :: 51.510 CB :: 43.710 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 6.466 HA :: 5.451 HB2 :: 2.621 HB3 :: 2.396 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 116.990 Ave N Shift Values>> N :: 120.73(4.2) A109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.53 M 0.4 C 0.03 I 0.01 C Shift Assignments>> C :: 178.148 CA :: 54.280 CB :: 18.910 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.380 HA :: 4.203 HB :: 1.659 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 128.285 Ave N Shift Values>> N :: 123.23(3.7) S110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.259 CA :: 58.740 CB :: 63.260 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.950 HA :: 4.397 HB2 :: 3.652 HB3 :: 3.652 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 112.615 Ave N Shift Values>> N :: 116.3(3.95) A111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.48 L 0.22 C 0.16 M 0.1 K 0.01 C Shift Assignments>> C :: 176.405 CA :: 50.330 CB :: 22.310 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.774 HA :: 4.752 HB :: 1.616 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.433 Ave N Shift Values>> N :: 123.23(3.7) E112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 E 0.34 M 0.18 K 0.03 Q 0.02 I 0.01 C Shift Assignments>> C :: 177.884 CA :: 54.850 CB :: 31.030 CG :: 36.450 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.073 HA :: 4.331 HB2 :: 1.871 HB3 :: 1.600 HG2 :: 2.393 HG3 :: 2.393 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 116.153 Ave N Shift Values>> N :: 120.68(3.68) Y113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 Y 0.33 F 0.31 C Shift Assignments>> C :: 175.190 CA :: 60.350 CB :: 37.550 CD1 :: 131.552 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 7.952 HA :: 3.747 HB2 :: 2.651 HB3 :: 2.651 HD1 :: 7.032 HD2 :: 7.032 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 117.931 Ave N Shift Values>> N :: 120.79(4.69) G114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.44 L 0.21 R 0.17 C 0.1 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> CA :: 44.460 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.096 HA2 :: 4.055 HA3 :: 4.055 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.442 Ave N Shift Values>> N :: 109.91(4.29) Q115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 K 0.27 Q 0.17 R 0.16 M 0.04 E 0.03 C Shift Assignments>> C :: 177.105 CA :: 58.800 CB :: 28.520 CG :: 32.570 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> HA :: 3.812 HB2 :: 1.747 HB3 :: 1.351 HG2 :: 1.700 HG3 :: 1.543 HE21 :: 7.247 HE22 :: 6.744 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> NE2 :: 111.898 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) F116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.36 F 0.34 C 0.29 C Shift Assignments>> C :: 176.907 CA :: 57.680 CB :: 38.800 CD1 :: 131.483 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.613 HA :: 4.969 HB2 :: 3.529 HB3 :: 2.914 HD1 :: 7.332 HD2 :: 7.332 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 113.545 Ave N Shift Values>> N :: 120.69(4.18) T117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.86 C 0.13 C Shift Assignments>> C :: 174.411 CA :: 60.580 CB :: 69.290 CG2 :: 22.140 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.329 HA :: 4.587 HB :: 4.629 HG1 :: 5.165 HG2 :: 1.108 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 106.764 Ave N Shift Values>> N :: 115.7(5.05) T118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.79 T 0.2 HN Overlap>> F129 C Shift Assignments>> C :: 173.117 CA :: 60.290 CB :: 72.930 CG2 :: 23.970 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.352 HA :: 5.226 HB :: 3.991 HG2 :: 1.250 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 110.819 Ave N Shift Values>> N :: 115.7(5.05) C119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.14 R 0.14 H 0.14 C 0.14 W 0.11 K 0.1 E 0.09 Q 0.08 HN Overlap>> E53 C Shift Assignments>> C :: 171.150 CA :: 55.440 CB :: 31.250 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.926 HA :: 5.011 HB2 :: 2.860 HB3 :: 2.860 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 117.269 Ave N Shift Values>> N :: 119.95(4.79) F120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.38 Y 0.36 C 0.24 C Shift Assignments>> C :: 175.336 CA :: 58.100 CB :: 40.530 CD1 :: 131.917 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 9.006 HA :: 4.989 HB2 :: 3.071 HB3 :: 2.786 HD1 :: 7.025 HD2 :: 7.025 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 123.561 Ave N Shift Values>> N :: 120.69(4.18) V121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.69 V 0.26 I 0.03 A 0.01 C Shift Assignments>> C :: 175.415 CA :: 59.099 CB :: 34.550 CG1 :: 23.070 CG2 :: 19.420 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.880 HA :: 4.698 HB :: 2.542 HG1 :: 0.655 HG2 :: 0.469 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120.493 Ave N Shift Values>> N :: 121.02(4.96) V122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.56 C 0.43 C Shift Assignments>> C :: 179.336 CA :: 60.360 CB :: 33.430 CG1 :: 21.450 CG2 :: 20.240 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.529 HA :: 4.612 HB :: 2.017 HG1 :: 0.707 HG2 :: 0.682 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 110.738 Ave N Shift Values>> N :: 121.02(4.96) R123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 K 0.45 R 0.01 HN Overlap>> K146 C Shift Assignments>> C :: 177.501 CA :: 59.080 CB :: 28.200 CG :: 31.190 CD :: 41.220 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.973 HA :: 3.532 HB2 :: 1.949 HB3 :: 1.949 HG2 :: 1.796 HG3 :: 1.796 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 126.645 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) L124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 R 0.35 L 0.16 K 0.06 G 0.05 C Shift Assignments>> C :: 177.804 CA :: 57.900 CB :: 42.960 CG :: 27.900 CD1 :: 24.880 CD2 :: 27.770 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.728 HA :: 4.415 HB2 :: 1.884 HB3 :: 1.806 HG :: 2.162 HD1 :: 1.138 HD2 :: 1.281 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 115.613 Ave N Shift Values>> N :: 121.98(4.07) Q125 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> C 0.31 K 0.19 Q 0.19 E 0.16 I 0.07 R 0.04 HN Overlap>> E57 C Shift Assignments>> C :: 176.814 CA :: 59.120 CB :: 28.120 CG :: 34.570 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.384 HA :: 3.692 HB2 :: 2.266 HB3 :: 1.077(S) HG2 :: 1.647 HG3 :: 0.238(M) HE21 :: 6.979 HE22 :: 6.979 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 115.427 NE2 :: 107.966 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) F126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.42 C 0.18 Y 0.18 F 0.16 E 0.02 C Shift Assignments>> C :: 175.520 CA :: 61.330 CB :: 38.260 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.041 HA :: 4.253 HB2 :: 2.525 HB3 :: 2.525 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 118.628 Ave N Shift Values>> N :: 120.69(4.18) Y127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 Y 0.42 H 0.01 C Shift Assignments>> C :: 176.643 CA :: 59.220 CB :: 36.710 CD1 :: 131.128 CE1 :: 118.722 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.946 HA :: 4.016 HB2 :: 3.042 HB3 :: 2.934 HD1 :: 6.841 HD2 :: 6.841 HE1 :: 6.844 HE2 :: 6.844 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 117.977 Ave N Shift Values>> N :: 120.79(4.69) A128 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.83 I 0.1 A 0.04 C 0.01 HN Overlap>> E25 C Shift Assignments>> C :: 177.686 CA :: 56.250 CB :: 15.180 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.911 HA :: 3.415 HB :: 0.193(S) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.194 Ave N Shift Values>> N :: 123.23(3.7) F129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.61 F 0.14 C 0.14 Y 0.08 HN Overlap>> T118 C Shift Assignments>> C :: 179.442 CA :: 64.030 CB :: 40.640 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.409 HA :: 3.812 HB2 :: 2.723 HB3 :: 2.522 HD1 :: 6.974 HD2 :: 6.974 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 110.738 Ave N Shift Values>> N :: 120.69(4.18) E130 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.27 C 0.14 R 0.14 W 0.09 K 0.07 Q 0.06 E 0.05 H 0.04 P 0.04 L 0.03 C Shift Assignments>> C :: 178.478 CA :: 60.060 CB :: 27.420 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.602 HA :: 3.910 HB2 :: 1.912 HB3 :: 1.740 HG2 :: 1.599(S) HG3 :: 1.599(S) Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 117.402 Ave N Shift Values>> N :: 120.68(3.68) I131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.8 C 0.17 V 0.02 C Shift Assignments>> C :: 178.755 CA :: 65.840 CB :: 37.740 CG1 :: 31.070 CG2 :: 17.940 CD1 :: 16.410 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.071 HA :: 3.820 HB :: 1.841 HG2 :: 0.995 HG12 :: 0.990 HG13 :: 0.990 HD1 :: 0.830 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 120.249 Ave N Shift Values>> N :: 121.6(4.72) A132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.61 A 0.25 I 0.06 C 0.04 V 0.01 C Shift Assignments>> C :: 178.861 CA :: 55.960 CB :: 18.490 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.514 HA :: 4.206 HB :: 1.902 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.953 Ave N Shift Values>> N :: 123.23(3.7) R133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.46 C 0.37 G 0.1 K 0.05 HN Overlap>> D98 C Shift Assignments>> C :: 178.187 CA :: 60.220 CB :: 29.960 CG :: 27.360 CD :: 43.370 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.813 HA :: 3.873 HB2 :: 2.078 HB3 :: 2.078 HG2 :: 1.902 HG3 :: 1.753 HD2 :: 2.950 HD3 :: 2.870 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 116.728 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) N134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 E 0.19 Y 0.14 N 0.14 F 0.07 M 0.06 D 0.02 K 0.02 I 0.02 C Shift Assignments>> C :: 179.587 CA :: 55.439 CB :: 37.030 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.821 HA :: 4.804 HB2 :: 2.947 HB3 :: 2.894 HD21 :: 6.860 HD22 :: 6.411 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 119.587 ND2 :: 107.733 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) K135 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.42 C 0.4 R 0.15 M 0.02 C Shift Assignments>> C :: 178.623 CA :: 58.940 CB :: 31.930 CG :: 24.460 CD :: 28.480 CE :: 41.210 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.538 HA :: 3.924 HB2 :: 1.572 HB3 :: 1.272 HG2 :: 1.016 HG3 :: 0.915 HD2 :: 0.925 HD3 :: 0.747(S) HE2 :: 2.427 HE3 :: 2.427 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 122.201 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) H136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.14 C 0.13 M 0.13 H 0.13 W 0.12 E 0.11 K 0.1 Q 0.08 V 0.01 C Shift Assignments>> C :: 175.177 CA :: 56.130 CB :: 31.220 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 7.393 HA :: 4.777 HB2 :: 3.481 HB3 :: 2.870 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 113.887 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) G137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.72 C 0.2 L 0.03 A 0.01 P 0.01 C Shift Assignments>> C :: 177.131 CA :: 47.180 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.911 HA2 :: 4.204 HA3 :: 3.943 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.605 Ave N Shift Values>> N :: 109.91(4.29) L138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.42 C 0.42 A 0.08 K 0.04 G 0.01 C Shift Assignments>> C :: 175.758 CA :: 56.420 CB :: 42.000 CD1 :: 26.530 CD2 :: 21.560 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.511 HA :: 4.203 HB2 :: 1.815 HB3 :: 1.661 HD1 :: 0.985 HD2 :: 0.936 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.099 Ave N Shift Values>> N :: 121.98(4.07) N139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 N 0.25 L 0.13 C 0.12 F 0.04 K 0.04 Y 0.04 R 0.01 C Shift Assignments>> C :: 178.293 CA :: 52.050 CB :: 40.830 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.880 HA :: 5.426 HB2 :: 2.948 HB3 :: 2.948 HD21 :: 6.601 HD22 :: 6.601 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 112.737 ND2 :: 114.867 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) D140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.27 F 0.22 C 0.22 I 0.12 E 0.06 D 0.03 L 0.01 N 0.01 C Shift Assignments>> C :: 176.418 CA :: 58.050 CB :: 38.580 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.527 HA :: 4.438 HB2 :: 2.827 HB3 :: 2.782 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 125.670 Ave N Shift Values>> N :: 120.73(4.2) W141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 W 0.37 H 0.05 C Shift Assignments>> C :: 176.035 CA :: 57.180 CB :: 27.560 CD1 :: 127.864 CZ2 :: 115.566 CH2 :: 125.179 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 7.979 HA :: 4.337 HB2 :: 3.562 HB3 :: 3.109 HD1 :: 7.748 HE1 :: 10.378 HZ2 :: 7.554 HH2 :: 7.105 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 119.378 NE1 :: 131.362 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) I142 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.82 C 0.17 C Shift Assignments>> C :: 175.850 CA :: 63.460 CB :: 38.150 CG1 :: 26.780 CG2 :: 17.300 CD1 :: 15.820 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 6.604 HA :: 2.473 HB :: 0.521(S) HG2 :: -0.649(S) HG12 :: 0.761 HG13 :: 0.761 HD1 :: 0.215 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 122.742 Ave N Shift Values>> N :: 121.6(4.72) V143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.84 C 0.15 C Shift Assignments>> C :: 177.725 CA :: 63.800 CB :: 31.100 CG1 :: 20.630 CG2 :: 22.110 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 6.725 HA :: 3.633 HB :: 1.848 HG1 :: 0.746 HG2 :: 0.742 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 117.781 Ave N Shift Values>> N :: 121.02(4.96) G144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.76 L 0.09 C 0.08 R 0.04 C Shift Assignments>> C :: 174.953 CA :: 45.250 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.395 HA2 :: 4.078 HA3 :: 3.895 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.266 Ave N Shift Values>> N :: 109.91(4.29) Q145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 Q 0.25 K 0.23 E 0.16 R 0.03 M 0.03 I 0.01 C Shift Assignments>> C :: 174.834 CA :: 55.740 CB :: 28.720 CG :: 34.490 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.045 HA :: 4.335 HB2 :: 2.333 HB3 :: 2.073 HG2 :: 2.464 HG3 :: 2.464 HE21 :: 7.762 HE22 :: 7.057 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 120.557 NE2 :: 113.800 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) K146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 K 0.39 R 0.16 M 0.01 G 0.01 HN Overlap>> R123 C Shift Assignments>> CA :: 57.580 CB :: 33.770 CG :: 24.750 CD :: 28.910 CE :: 42.350 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.952 HA :: 4.231 HB2 :: 1.874 HB3 :: 1.761 HG2 :: 1.448 HG3 :: 1.448 HD2 :: 1.698 HD3 :: 1.698 HE2 :: 3.029 HE3 :: 3.029 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 126.664 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) ########################################################################### Overall Results: #Consistent: 135 #Clerical: 0 #Suspicious: 10 #Anomalous: 1 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 145 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 1 Shift Relative Order (SRO) Results: #Consistent: 146 #Suspicious: 0 C Shift Results: #Consistent: 627 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 879 #Duplicate: 0 #Unknown: 0 #Suspicious: 14 #Anomalous: 1 N Shift Results: #Consistent: 155 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: L44 H = 10.397(S), Expected = 8.22, Std = 0.6500, ChiSquare = 8.1036e-04 T45 HG2 = 0.159(S), Expected = 1.16, Std = 0.2800, ChiSquare = 3.5023e-04 I51 HG13 = -0.475(S), Expected = 1.24, Std = 0.4000, ChiSquare = 1.8070e-05 E61 H = 10.659(S), Expected = 8.34, Std = 0.6100, ChiSquare = 1.4374e-04 E61 HG3 = 1.130(S), Expected = 2.31, Std = 0.2100, ChiSquare = 1.9201e-08 E75 HG2 = 3.362(S), Expected = 2.31, Std = 0.2100, ChiSquare = 5.4565e-07 I91 HG2 = -0.179(S), Expected = 0.80, Std = 0.2900, ChiSquare = 7.3585e-04 Q125 HB3 = 1.077(S), Expected = 2.04, Std = 0.2900, ChiSquare = 8.9795e-04 Q125 HG3 = 0.238(M), Expected = 2.32, Std = 0.2900, ChiSquare = 7.0064e-13 A128 HB = 0.193(S), Expected = 1.38, Std = 0.2500, ChiSquare = 2.0544e-06 E130 HG2 = 1.599(S), Expected = 2.31, Std = 0.2100, ChiSquare = 7.0993e-04 E130 HG3 = 1.599(S), Expected = 2.31, Std = 0.2100, ChiSquare = 7.0993e-04 K135 HD3 = 0.747(S), Expected = 1.61, Std = 0.2500, ChiSquare = 5.5645e-04 I142 HB = 0.521(S), Expected = 1.80, Std = 0.3100, ChiSquare = 3.6944e-05 I142 HG2 = -0.649(S), Expected = 0.80, Std = 0.2900, ChiSquare = 5.8365e-07