A1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> A 0.96 C 0.02 C Shift Assignments>> C :: 174.251 CA :: 51.943 CB :: 19.285 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> HA :: 4.088 HB :: 1.506 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) G2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.71 L 0.11 C 0.08 R 0.05 C Shift Assignments>> C :: 173.661 CA :: 45.107 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.601 HA2 :: 3.768 HA3 :: 3.980 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.991 Ave N Shift Values>> N :: 109.91(4.29) E3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.37 K 0.15 I 0.07 C Shift Assignments>> C :: 177.106 CA :: 57.014 CB :: 29.168 CG :: 36.010 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 :: 8.622 HA :: 3.785 HB2 :: 1.838 HB3 :: 1.813 HG2 :: 2.237 HG3 :: 2.110 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 :: 121.142 Ave N Shift Values>> N :: 120.68(3.68) I4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.68 C 0.31 C Shift Assignments>> C :: 176.454 CA :: 61.015 CB :: 38.899 CG1 :: 27.104 CG2 :: 17.360 CD1 :: 13.004 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 :: 8.219 HA :: 4.130 HB :: 1.728 HG2 :: 0.718 HG12 :: 1.364 HG13 :: 1.063 HD1 :: 0.755 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 :: 121.272 Ave N Shift Values>> N :: 121.6(4.72) G5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.62 L 0.15 C 0.09 R 0.09 F 0.01 D 0.01 C Shift Assignments>> C :: 174.003 CA :: 44.857 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.247 HA2 :: 3.734 HA3 :: 3.944 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.215 Ave N Shift Values>> N :: 109.91(4.29) F6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.4 C 0.32 Y 0.26 C Shift Assignments>> C :: 175.492 CA :: 55.993 CB :: 39.091 CD1 :: 130.932 CE1 :: 129.350 CZ :: 129.536 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 :: 7.613 HA :: 4.665 HB2 :: 2.911 HB3 :: 3.265 HD1 :: 7.043 HD2 :: 7.043 HE1 :: 7.030 HE2 :: 7.030 HZ :: 7.137 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 :: 119.773 Ave N Shift Values>> N :: 120.69(4.18) I7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.71 C 0.28 C Shift Assignments>> C :: 176.857 CA :: 61.474 CB :: 38.423 CG1 :: 27.650 CG2 :: 17.448 CD1 :: 12.385 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 :: 8.007 HA :: 3.962 HB :: 1.798 HG2 :: 0.833 HG12 :: 1.473 HG13 :: 1.172 HD1 :: 0.803 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 :: 122.854 Ave N Shift Values>> N :: 121.6(4.72) I8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.74 C 0.25 C Shift Assignments>> C :: 175.368 CA :: 61.831 CB :: 39.322 CG1 :: 28.027 CG2 :: 18.935 CD1 :: 13.695 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 :: 8.092 HA :: 3.780 HB :: 1.117 HG2 :: 0.791 HG12 :: 0.811 HG13 :: 1.537 HD1 :: 0.499 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 :: 125.094 Ave N Shift Values>> N :: 121.6(4.72) K9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.42 C 0.35 R 0.19 G 0.02 C Shift Assignments>> C :: 175.989 CA :: 55.045 CB :: 33.310 CG :: 24.666 CD :: 28.718 CE :: 42.510 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 :: 8.301 HA :: 4.298 HB2 :: 1.880 HB3 :: 1.722 HG2 :: 1.506 HG3 :: 1.490 HD2 :: 1.671 HD3 :: 1.673 HE2 :: 3.006 HE3 :: 3.001 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 :: 128.302 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) E10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.41 C 0.39 K 0.09 I 0.08 HN Overlap>> K77 C Shift Assignments>> C :: 176.113 CA :: 57.358 CB :: 30.011 CG :: 36.346 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 :: 8.424 HA :: 3.979 HB2 :: 2.021 HB3 :: 1.930 HG2 :: 2.291 HG3 :: 2.297 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 :: 119.341 Ave N Shift Values>> N :: 120.68(3.68) G11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 L 0.08 C 0.07 R 0.02 C Shift Assignments>> C :: 174.065 CA :: 45.405 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.161 HA2 :: 4.265 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 :: 107.677 Ave N Shift Values>> N :: 109.91(4.29) D12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.19 Y 0.17 C 0.15 D 0.14 L 0.13 K 0.1 N 0.03 I 0.03 R 0.01 HN Overlap>> L31 V49 K57 C Shift Assignments>> C :: 176.547 CA :: 56.608 CB :: 40.537 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 :: 8.684 HA :: 4.473 HB2 :: 2.662 HB3 :: 2.704 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 :: 120.058 Ave N Shift Values>> N :: 120.73(4.2) E13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 E 0.34 K 0.14 I 0.08 C Shift Assignments>> C :: 174.251 CA :: 56.291 CB :: 28.355 CG :: 36.271 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 :: 9.220 HA :: 4.310 HB2 :: 1.934 HB3 :: 2.003 HG2 :: 2.230 HG3 :: 2.226 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 :: 117.262 Ave N Shift Values>> N :: 120.68(3.68) V14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.58 C 0.41 C Shift Assignments>> C :: 175.120 CA :: 60.699 CB :: 34.253 CG1 :: 21.310 CG2 :: 21.167 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 :: 7.595 HA :: 5.403 HB :: 2.057 HG1 :: 0.768 HG2 :: 0.899 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 :: 121.871 Ave N Shift Values>> N :: 121.02(4.96) A15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.46 C 0.31 K 0.09 A 0.08 R 0.02 C Shift Assignments>> C :: 174.902 CA :: 50.276 CB :: 23.917 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.459 HA :: 5.082 HB :: 1.801 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 130.285 Ave N Shift Values>> N :: 123.23(3.7) D16 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.26 D 0.25 C 0.11 R 0.11 K 0.1 N 0.06 F 0.04 Y 0.03 G 0.01 C Shift Assignments>> C :: 176.888 CA :: 52.956 CB :: 42.354 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 :: 8.766 HA :: 5.864(S) HB2 :: 2.576 HB3 :: 2.526 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 :: 122.369 Ave N Shift Values>> N :: 120.73(4.2) V17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 V 0.43 C Shift Assignments>> C :: 174.158 CA :: 60.759 CB :: 35.904 CG1 :: 20.538 CG2 :: 20.729 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 :: 9.384 HA :: 4.510 HB :: 1.928 HG1 :: 0.585 HG2 :: 0.993 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 :: 120.782 Ave N Shift Values>> N :: 121.02(4.96) T18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.91 C 0.08 C Shift Assignments>> C :: 173.103 CA :: 61.652 CB :: 70.289 CG2 :: 21.924 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 :: 8.468 HA :: 5.146 HB :: 3.762 HG2 :: 0.798 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 :: 122.141 Ave N Shift Values>> N :: 115.7(5.05) I19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.62 C 0.36 C Shift Assignments>> C :: 172.948 CA :: 59.806 CB :: 41.419 CG1 :: 26.939 CG2 :: 17.941 CD1 :: 14.277 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 :: 8.855 HA :: 4.225 HB :: 1.508 HG2 :: 0.836 HG12 :: 0.714 HG13 :: 1.237 HD1 :: 0.595 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 :: 126.246 Ave N Shift Values>> N :: 121.6(4.72) F20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.4 Y 0.35 C 0.22 C Shift Assignments>> C :: 175.120 CA :: 56.113 CB :: 41.825 CD1 :: 131.945 CE1 :: 131.015 CZ :: 129.572 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 :: 8.298 HA :: 5.287 HB2 :: 3.083 HB3 :: 2.771 HD1 :: 7.188 HD2 :: 7.188 HE1 :: 7.189 HE2 :: 7.189 HZ :: 7.147 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 :: 122.363 Ave N Shift Values>> N :: 120.69(4.18) A21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.7 L 0.17 C 0.1 C Shift Assignments>> C :: 175.989 CA :: 51.842 CB :: 21.493 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.271 HA :: 4.488 HB :: 1.422 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.512 Ave N Shift Values>> N :: 123.23(3.7) E22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 E 0.43 I 0.09 K 0.03 C Shift Assignments>> C :: 176.516 CA :: 57.899 CB :: 31.011 CG :: 36.619 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 :: 8.590 HA :: 4.234 HB2 :: 2.005 HB3 :: 2.245 HG2 :: 2.364 HG3 :: 2.419 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 :: 112.784 Ave N Shift Values>> N :: 120.68(3.68) T23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.68 T 0.28 A 0.03 C Shift Assignments>> C :: 174.251 CA :: 58.327 CB :: 73.207 CG2 :: 22.156 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 :: 7.131 HA :: 4.891 HB :: 4.594 HG2 :: 1.240 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 :: 104.026 Ave N Shift Values>> N :: 115.7(5.05) K24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.43 C 0.39 R 0.16 C Shift Assignments>> C :: 178.005 CA :: 59.805 CB :: 32.115 CG :: 24.780 CD :: 29.439 CE :: 41.952 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 :: 8.814 HA :: 3.930 HB2 :: 2.052 HB3 :: 1.803 HG2 :: 1.379 HG3 :: 1.379 HD2 :: 1.519 HD3 :: 1.647 HE2 :: 2.845 HE3 :: 2.800 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 :: 123.212 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) D25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.21 Y 0.2 C 0.16 D 0.12 L 0.11 K 0.07 I 0.04 N 0.03 C Shift Assignments>> C :: 178.750 CA :: 56.887 CB :: 40.269 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 :: 8.461 HA :: 4.380 HB2 :: 2.570 HB3 :: 2.642 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 :: 116.721 Ave N Shift Values>> N :: 120.73(4.2) A26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.88 C 0.05 I 0.02 L 0.01 V 0.01 C Shift Assignments>> C :: 180.178 CA :: 54.445 CB :: 18.886 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.838 HA :: 4.246 HB :: 1.492 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.740 Ave N Shift Values>> N :: 123.23(3.7) L27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.35 R 0.05 G 0.01 C Shift Assignments>> C :: 178.688 CA :: 58.019 CB :: 42.056 CG :: 25.911 CD1 :: 26.028 CD2 :: 24.720 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 :: 7.995 HA :: 3.756 HB2 :: 2.053 HB3 :: 1.403 HG :: 1.587 HD1 :: 0.531 HD2 :: 0.559 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 :: 120.544 Ave N Shift Values>> N :: 121.98(4.07) E28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.35 C 0.34 E 0.27 K 0.02 HN Overlap>> Y47 C Shift Assignments>> C :: 179.743 CA :: 59.925 CB :: 29.309 CG :: 37.196 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 :: 8.244 HA :: 3.809 HB2 :: 2.178 HB3 :: 2.022 HG2 :: 2.096 HG3 :: 2.496 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 :: 116.707 Ave N Shift Values>> N :: 120.68(3.68) S29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.323 CA :: 61.375 CB :: 62.577 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.144 HA :: 4.281 HB2 :: 4.017 HB3 :: 3.976 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 :: 116.031 Ave N Shift Values>> N :: 116.3(3.95) E30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.35 K 0.15 I 0.1 C Shift Assignments>> C :: 179.091 CA :: 58.912 CB :: 29.658 CG :: 35.361 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 :: 8.158 HA :: 4.262 HB2 :: 2.222 HB3 :: 2.155 HG2 :: 2.445 HG3 :: 2.568 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 :: 122.568 Ave N Shift Values>> N :: 120.68(3.68) L31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 L 0.43 R 0.04 HN Overlap>> D12 V49 K57 C Shift Assignments>> C :: 178.409 CA :: 58.376 CB :: 40.894 CG :: 26.770 CD1 :: 26.470 CD2 :: 22.136 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 :: 8.618 HA :: 4.081 HB2 :: 1.521 HB3 :: 2.059 HG :: 1.628 HD1 :: 0.984 HD2 :: 0.817 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 :: 120.063 Ave N Shift Values>> N :: 121.98(4.07) A32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.75 I 0.14 C 0.07 V 0.01 C Shift Assignments>> C :: 180.240 CA :: 55.436 CB :: 17.635 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.841 HA :: 4.014 HB :: 1.565 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.059 Ave N Shift Values>> N :: 123.23(3.7) K33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.43 C 0.4 R 0.15 C Shift Assignments>> C :: 180.053 CA :: 59.032 CB :: 32.266 CG :: 24.768 CD :: 29.431 CE :: 41.780 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 :: 7.482 HA :: 4.079 HB2 :: 2.054 HB3 :: 1.796 HG2 :: 1.352 HG3 :: 1.651 HD2 :: 1.447 HD3 :: 1.520 HE2 :: 2.799 HE3 :: 2.851 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 :: 117.281 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) Y34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.67 C 0.32 C Shift Assignments>> C :: 177.881 CA :: 63.201 CB :: 38.452 CD1 :: 132.540 CE1 :: 118.350 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 :: 7.912 HA :: 3.952 HB2 :: 3.298 HB3 :: 2.881 HD1 :: 7.210 HD2 :: 7.210 HE1 :: 6.724 HE2 :: 6.724 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 :: 119.735 Ave N Shift Values>> N :: 120.79(4.69) I35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.95 C 0.04 C Shift Assignments>> C :: 177.416 CA :: 66.244 CB :: 37.946 CG1 :: 28.939 CG2 :: 16.999 CD1 :: 14.174 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 :: 8.597 HA :: 3.446 HB :: 1.727 HG2 :: 0.741 HG12 :: 1.607 HG13 :: 0.128 HD1 :: 0.612 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 :: 120.643 Ave N Shift Values>> N :: 121.6(4.72) E36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 E 0.34 I 0.19 K 0.1 HN Overlap>> R83 C Shift Assignments>> C :: 179.743 CA :: 59.329 CB :: 29.131 CG :: 36.010 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 :: 8.012 HA :: 3.934 HB2 :: 2.067 HB3 :: 2.082 HG2 :: 2.264 HG3 :: 2.355 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 :: 118.532 Ave N Shift Values>> N :: 120.68(3.68) L37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 C 0.34 R 0.1 G 0.01 C Shift Assignments>> C :: 179.960 CA :: 57.542 CB :: 42.026 CG :: 27.208 CD1 :: 23.836 CD2 :: 25.227 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 :: 7.780 HA :: 4.158 HB2 :: 1.732 HB3 :: 1.731 HG :: 1.620 HD1 :: 0.747 HD2 :: 0.622 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 :: 120.249 Ave N Shift Values>> N :: 121.98(4.07) A38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.54 I 0.17 C 0.13 V 0.08 T 0.03 L 0.02 C Shift Assignments>> C :: 179.216 CA :: 56.291 CB :: 18.926 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.826 HA :: 3.838 HB :: 0.953 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.908 Ave N Shift Values>> N :: 123.23(3.7) K39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 R 0.33 K 0.28 C Shift Assignments>> C :: 178.471 CA :: 58.138 CB :: 32.705 CG :: 26.643 CD :: 29.824 CE :: 42.139 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 :: 8.511 HA :: 4.289 HB2 :: 1.858 HB3 :: 1.801 HG2 :: 1.612 HG3 :: 1.468 HD2 :: 1.698 HD3 :: 1.709 HE2 :: 2.980 HE3 :: 3.021 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 :: 116.835 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) S40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.368 CA :: 60.680 CB :: 62.801 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.844 HA :: 4.257 HB2 :: 4.042 HB3 :: 4.071 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 :: 114.479 Ave N Shift Values>> N :: 116.3(3.95) V41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.87 C 0.12 HN Overlap>> L81 C Shift Assignments>> C :: 175.709 CA :: 64.154 CB :: 32.332 CG1 :: 21.892 CG2 :: 22.344 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 :: 7.461 HA :: 3.949 HB :: 2.317 HG1 :: 0.935 HG2 :: 1.033 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 :: 122.008 Ave N Shift Values>> N :: 121.02(4.96) C42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.21 H 0.2 R 0.19 C 0.17 K 0.15 I 0.03 V 0.01 C Shift Assignments>> C :: 173.599 CA :: 57.244 CB :: 29.886 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.379 HA :: 4.652 HB2 :: 2.810 HB3 :: 2.906 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 :: 121.409 Ave N Shift Values>> N :: 119.95(4.79) A43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.78 I 0.12 C 0.07 V 0.01 C Shift Assignments>> C :: 179.247 CA :: 55.339 CB :: 17.873 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.171 HA :: 4.293 HB :: 1.501 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 132.821 Ave N Shift Values>> N :: 123.23(3.7) G44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.46 L 0.2 R 0.16 C 0.1 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 174.530 CA :: 44.513 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.371 HA2 :: 4.346 HA3 :: 3.643 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.214 Ave N Shift Values>> N :: 109.91(4.29) V45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.67 C 0.32 C Shift Assignments>> C :: 172.544 CA :: 62.069 CB :: 31.692 CG1 :: 19.627 CG2 :: 22.152 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 :: 7.502 HA :: 3.921 HB :: 2.123 HG1 :: 0.854 HG2 :: 0.372 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 :: 122.531 Ave N Shift Values>> N :: 121.02(4.96) E46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.8 E 0.19 C Shift Assignments>> C :: 174.623 CA :: 53.849 CB :: 33.181 CG :: 36.010 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 :: 7.645 HA :: 4.774 HB2 :: 1.708 HB3 :: 1.895 HG2 :: 2.112 HG3 :: 2.298 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 :: 125.964 Ave N Shift Values>> N :: 120.68(3.68) Y47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.6 C 0.38 HN Overlap>> E28 C Shift Assignments>> C :: 174.344 CA :: 55.150 CB :: 41.148 CD1 :: 132.637 CE1 :: 117.625 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 :: 8.188 HA :: 5.592 HB2 :: 1.845 HB3 :: 2.483 HD1 :: 6.450 HD2 :: 6.450 HE1 :: 6.639 HE2 :: 6.639 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 :: 116.781 Ave N Shift Values>> N :: 120.79(4.69) N48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.66 L 0.11 C 0.09 D 0.05 R 0.05 HN Overlap>> E75 C Shift Assignments>> C :: 172.668 CA :: 50.917 CB :: 44.083 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 :: 8.603 HA :: 4.937 HB2 :: 2.026 HB3 :: 2.711 HD21 :: 7.026 HD22 :: 6.912 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 :: 118.394 ND2 :: 109.317 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) V49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.54 C 0.44 HN Overlap>> D12 L31 C Shift Assignments>> C :: 175.306 CA :: 60.759 CB :: 34.968 CG1 :: 21.380 CG2 :: 21.970 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 :: 8.615 HA :: 4.787 HB :: 1.978 HG1 :: 0.985 HG2 :: 1.195 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 :: 119.972 Ave N Shift Values>> N :: 121.02(4.96) S50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.513 CA :: 58.956 CB :: 63.849 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.649 HA :: 4.284 HB2 :: 4.019 HB3 :: 4.210 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 :: 122.312 Ave N Shift Values>> N :: 116.3(3.95) E51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.41 C 0.39 K 0.11 I 0.06 C Shift Assignments>> C :: 176.454 CA :: 57.185 CB :: 30.158 CG :: 36.002 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 :: 8.342 HA :: 4.063 HB2 :: 1.940 HB3 :: 1.952 HG2 :: 2.292 HG3 :: 2.176 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 :: 118.742 Ave N Shift Values>> N :: 120.68(3.68) L52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.49 G 0.27 C 0.18 R 0.03 C Shift Assignments>> C :: 176.609 CA :: 53.670 CB :: 44.211 CG :: 26.770 CD1 :: 25.168 CD2 :: 25.438 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 :: 8.599 HA :: 4.820 HB2 :: 1.650 HB3 :: 1.464 HG :: 1.664 HD1 :: 0.889 HD2 :: 0.912 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 :: 126.981 Ave N Shift Values>> N :: 121.98(4.07) T53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.79 C 0.19 C Shift Assignments>> C :: 175.492 CA :: 59.765 CB :: 71.778 CG2 :: 21.042 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 :: 9.009 HA :: 4.767 HB :: 4.593 HG2 :: 1.152 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 :: 115.056 Ave N Shift Values>> N :: 115.7(5.05) E54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 E 0.35 I 0.16 K 0.11 C Shift Assignments>> C :: 177.509 CA :: 58.912 CB :: 29.160 CG :: 36.010 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 :: 8.883 HA :: 4.076 HB2 :: 2.165 HB3 :: 2.076 HG2 :: 2.401 HG3 :: 2.419 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 :: 118.271 Ave N Shift Values>> N :: 120.68(3.68) E55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.42 C 0.4 K 0.11 I 0.04 C Shift Assignments>> C :: 176.578 CA :: 55.875 CB :: 29.809 CG :: 36.304 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 :: 8.096 HA :: 4.426 HB2 :: 1.826 HB3 :: 2.222 HG2 :: 2.268 HG3 :: 2.262 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 :: 115.294 Ave N Shift Values>> N :: 120.68(3.68) S56 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 :: 173.506 CA :: 61.712 CB :: 64.477 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.678 HA :: 4.193 HB2 :: 3.812 HB3 :: 3.960 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 :: 118.137 Ave N Shift Values>> N :: 116.3(3.95) K57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.45 C 0.35 R 0.15 G 0.02 HN Overlap>> D12 L31 C Shift Assignments>> C :: 174.778 CA :: 54.385 CB :: 33.658 CG :: 24.740 CD :: 28.661 CE :: 42.566 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 :: 8.659 HA :: 4.685 HB2 :: 2.351 HB3 :: 1.650 HG2 :: 1.389 HG3 :: 1.492 HD2 :: 1.698 HD3 :: 1.635 HE2 :: 3.001 HE3 :: 3.071 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 :: 120.135 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) E58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.86 E 0.12 C Shift Assignments>> C :: 174.313 CA :: 53.730 CB :: 33.479 CG :: 34.970 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 :: 7.472 HA :: 5.353 HB2 :: 1.693 HB3 :: 1.935 HG2 :: 1.856 HG3 :: 2.024 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 :: 116.493 Ave N Shift Values>> N :: 120.68(3.68) L59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.48 C 0.4 L 0.09 R 0.01 C Shift Assignments>> C :: 174.313 CA :: 54.432 CB :: 46.241 CG :: 25.867 CD1 :: 27.655 CD2 :: 25.914 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 :: 8.693 HA :: 4.414 HB2 :: 1.555 HB3 :: 1.565 HG :: 0.834 HD1 :: 0.808 HD2 :: 0.531 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 :: 121.608 Ave N Shift Values>> N :: 121.98(4.07) T60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 C Shift Assignments>> C :: 172.203 CA :: 61.334 CB :: 71.330 CG2 :: 21.188 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 :: 8.745 HA :: 5.323 HB :: 3.925 HG2 :: 1.165 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 :: 118.936 Ave N Shift Values>> N :: 115.7(5.05) A61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.4 C 0.26 L 0.23 G 0.08 K 0.01 C Shift Assignments>> C :: 173.537 CA :: 49.368 CB :: 22.688 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.263 HA :: 5.178 HB :: 0.950 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 128.971 Ave N Shift Values>> N :: 123.23(3.7) R62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 R 0.26 K 0.21 G 0.1 C Shift Assignments>> C :: 174.034 CA :: 54.347 CB :: 33.279 CG :: 26.042 CD :: 43.354 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 :: 8.298 HA :: 5.095 HB2 :: 1.316 HB3 :: 0.945 HG2 :: 1.035 HG3 :: 1.378 HD2 :: 2.666 HD3 :: 2.680 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 :: 122.768 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) F63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.45 C 0.32 Y 0.19 G 0.03 C Shift Assignments>> C :: 173.165 CA :: 56.497 CB :: 42.560 CD1 :: 132.101 CE1 :: 130.132 CZ :: 127.360 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 :: 9.361 HA :: 4.698 HB2 :: 2.682 HB3 :: 1.941 HD1 :: 6.877 HD2 :: 6.877 HE1 :: 6.705 HE2 :: 6.705 HZ :: 6.591 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 :: 123.001 Ave N Shift Values>> N :: 120.69(4.18) K64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.43 C 0.41 R 0.14 C Shift Assignments>> C :: 174.685 CA :: 55.076 CB :: 34.904 CG :: 24.567 CD :: 29.606 CE :: 41.780 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 :: 9.243 HA :: 4.651 HB2 :: 1.377 HB3 :: 1.683 HG2 :: 1.215 HG3 :: 1.304 HD2 :: 1.621 HD3 :: 1.482 HE2 :: 2.906 HE3 :: 2.906 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 :: 122.768 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) F65 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> F 0.39 Y 0.32 C 0.27 C Shift Assignments>> C :: 173.382 CA :: 58.410 CB :: 39.495 CD1 :: 131.617 CE1 :: 130.315 CZ :: 128.286 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 :: 8.657 HA :: 4.431 HB2 :: 2.867 HB3 :: 4.000(M) HD1 :: 7.214 HD2 :: 7.214 HE1 :: 6.956 HE2 :: 6.956 HZ :: 5.456 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 :: 128.274 Ave N Shift Values>> N :: 120.69(4.18) E66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.35 I 0.24 K 0.03 C Shift Assignments>> C :: 177.819 CA :: 59.270 CB :: 30.054 CG :: 37.079 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 :: 8.347 HA :: 4.197 HB2 :: 2.158 HB3 :: 2.451 HG2 :: 2.357 HG3 :: 2.271 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 :: 118.575 Ave N Shift Values>> N :: 120.68(3.68) V67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.78 V 0.13 I 0.05 A 0.01 C Shift Assignments>> C :: 177.354 CA :: 58.852 CB :: 36.040 CG1 :: 22.208 CG2 :: 18.925 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 :: 7.865 HA :: 4.863 HB :: 2.491 HG1 :: 1.013 HG2 :: 0.937 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 :: 108.666 Ave N Shift Values>> N :: 121.02(4.96) S68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.857 CA :: 61.812 CB :: 62.291 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.287 HA :: 4.061 HB2 :: 3.947 HB3 :: 3.845 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 :: 120.620 Ave N Shift Values>> N :: 116.3(3.95) A69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.76 I 0.09 C 0.08 V 0.02 L 0.01 C Shift Assignments>> C :: 180.457 CA :: 55.458 CB :: 18.521 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.505 HA :: 4.048 HB :: 1.439 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.008 Ave N Shift Values>> N :: 123.23(3.7) E70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.37 K 0.16 I 0.07 C Shift Assignments>> C :: 176.764 CA :: 57.629 CB :: 29.637 CG :: 35.632 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 :: 7.010 HA :: 3.688 HB2 :: 2.723 HB3 :: 1.656 HG2 :: 2.280 HG3 :: 2.380 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 :: 114.476 Ave N Shift Values>> N :: 120.68(3.68) K71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 K 0.38 R 0.2 G 0.02 C Shift Assignments>> C :: 178.099 CA :: 59.546 CB :: 32.262 CG :: 24.688 CD :: 29.488 CE :: 42.545 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 :: 6.596 HA :: 3.115 HB2 :: 1.775 HB3 :: 2.258 HG2 :: 1.333 HG3 :: 1.493 HD2 :: 1.610 HD3 :: 1.696 HE2 :: 3.035 HE3 :: 2.994 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 :: 119.687 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) L72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 C 0.36 R 0.03 C Shift Assignments>> C :: 179.898 CA :: 57.983 CB :: 41.431 CG :: 26.770 CD1 :: 24.944 CD2 :: 23.095 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 :: 7.819 HA :: 4.104 HB2 :: 1.806 HB3 :: 1.571 HG :: 1.742 HD1 :: 0.913 HD2 :: 0.909 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 :: 118.032 Ave N Shift Values>> N :: 121.98(4.07) I73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.89 C 0.1 C Shift Assignments>> C :: 177.912 CA :: 64.557 CB :: 37.589 CG1 :: 29.009 CG2 :: 18.093 CD1 :: 12.662 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 :: 7.570 HA :: 3.742 HB :: 1.832 HG2 :: 0.946 HG12 :: 1.711 HG13 :: 1.182 HD1 :: 0.844 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 :: 120.190 Ave N Shift Values>> N :: 121.6(4.72) F74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.47 Y 0.33 C 0.18 C Shift Assignments>> C :: 177.106 CA :: 61.619 CB :: 39.710 CD1 :: 131.095 CE1 :: 131.001 CZ :: 129.531 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 :: 8.258 HA :: 3.899 HB2 :: 2.588 HB3 :: 2.826 HD1 :: 6.865 HD2 :: 6.865 HE1 :: 7.057 HE2 :: 7.057 HZ :: 6.503 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 :: 120.230 Ave N Shift Values>> N :: 120.69(4.18) E75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.4 C 0.34 E 0.23 K 0.01 HN Overlap>> N48 C Shift Assignments>> C :: 179.371 CA :: 59.963 CB :: 29.280 CG :: 37.555 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 :: 8.540 HA :: 3.713 HB2 :: 2.230 HB3 :: 1.999 HG2 :: 2.704 HG3 :: 2.224 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 :: 118.356 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 0.6 C 0.35 R 0.03 C Shift Assignments>> C :: 180.488 CA :: 58.257 CB :: 41.648 CG :: 26.770 CD1 :: 24.730 CD2 :: 23.887 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 :: 7.899 HA :: 4.048 HB2 :: 1.727 HB3 :: 1.867 HG :: 1.725 HD1 :: 0.892 HD2 :: 0.871 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 :: 120.628 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 0.38 K 0.37 R 0.23 HN Overlap>> E10 C Shift Assignments>> C :: 179.712 CA :: 59.210 CB :: 32.854 CG :: 26.136 CD :: 29.305 CE :: 41.896 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 :: 8.389 HA :: 4.048 HB2 :: 1.814 HB3 :: 1.774 HG2 :: 1.447 HG3 :: 1.642 HD2 :: 1.525 HD3 :: 1.445 HE2 :: 2.899 HE3 :: 2.799 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 :: 119.393 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 0.96 C 0.03 C Shift Assignments>> C :: 176.950 CA :: 64.571 CB :: 69.157 CG2 :: 22.400 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 :: 8.288 HA :: 3.692 HB :: 4.160 HG2 :: 0.525 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 :: 110.842 Ave N Shift Values>> N :: 115.7(5.05) R79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.45 C 0.37 G 0.09 K 0.05 L 0.01 C Shift Assignments>> C :: 178.316 CA :: 58.912 CB :: 29.759 CG :: 27.310 CD :: 43.480 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 :: 7.534 HA :: 4.146 HB2 :: 1.964 HB3 :: 1.936 HG2 :: 1.735 HG3 :: 1.909 HD2 :: 3.232 HD3 :: 3.183 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 :: 122.163 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) S80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.368 CA :: 59.925 CB :: 62.933 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.633 HA :: 4.325 HB2 :: 3.932 HB3 :: 3.924 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 :: 112.707 Ave N Shift Values>> N :: 116.3(3.95) L81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.61 C 0.31 R 0.04 A 0.01 G 0.01 HN Overlap>> V41 C Shift Assignments>> C :: 177.881 CA :: 56.112 CB :: 41.937 CG :: 26.770 CD1 :: 24.688 CD2 :: 23.334 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 :: 7.394 HA :: 4.169 HB2 :: 1.466 HB3 :: 1.587 HG :: 1.449 HD1 :: 0.393 HD2 :: 0.549 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 :: 122.064 Ave N Shift Values>> N :: 121.98(4.07) A82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.94 C 0.03 C Shift Assignments>> C :: 178.502 CA :: 53.313 CB :: 18.588 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.868 HA :: 4.247 HB :: 1.485 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.282 Ave N Shift Values>> N :: 123.23(3.7) R83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.43 C 0.36 K 0.11 G 0.07 HN Overlap>> E36 C Shift Assignments>> C :: 176.857 CA :: 56.584 CB :: 30.516 CG :: 27.240 CD :: 43.357 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 :: 8.003 HA :: 4.310 HB2 :: 1.863 HB3 :: 1.922 HG2 :: 1.716 HG3 :: 1.698 HD2 :: 3.228 HD3 :: 3.233 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 :: 118.594 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) L84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.62 C 0.28 R 0.05 A 0.02 G 0.01 C Shift Assignments>> C :: 177.540 CA :: 55.410 CB :: 42.034 CG :: 26.770 CD1 :: 24.989 CD2 :: 23.240 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 :: 8.031 HA :: 4.268 HB2 :: 1.697 HB3 :: 1.573 HG :: 1.637 HD1 :: 0.905 HD2 :: 0.847 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 :: 121.608 Ave N Shift Values>> N :: 121.98(4.07) E85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.41 C 0.39 K 0.14 I 0.04 C Shift Assignments>> C :: 176.361 CA :: 56.436 CB :: 29.941 CG :: 35.918 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 :: 8.196 HA :: 4.190 HB2 :: 1.937 HB3 :: 1.940 HG2 :: 2.204 HG3 :: 2.283 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 :: 120.467 Ave N Shift Values>> N :: 120.68(3.68) H86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.59 C 0.4 C Shift Assignments>> CA :: 55.483 CB :: 29.532 CD2 :: 119.648 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 :: 8.339 HA :: 4.599 HB2 :: 3.119 HB3 :: 3.042 HD2 :: 7.109 HE1 :: 8.080 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 :: 118.936 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) H87 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable H88 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable H89 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable H90 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable H91 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable ########################################################################### Overall Results: #Consistent: 89 #Clerical: 0 #Suspicious: 1 #Anomalous: 1 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 86 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 5 Shift Relative Order (SRO) Results: #Consistent: 91 #Suspicious: 0 C Shift Results: #Consistent: 381 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 507 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 1 N Shift Results: #Consistent: 86 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: D16 HA = 5.864(S), Expected = 4.61, Std = 0.3100, ChiSquare = 5.2287e-05 F65 HB3 = 4.000(M), Expected = 2.97, Std = 0.3800, ChiSquare = 6.7177e-03