Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.E1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.A2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.E3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.34 M 0.09 K 0.08 Q 0.05 I 0.05 C Shift Assignments>> C :: 175.758 CA :: 56.680 CB :: 30.190 CG :: 36.240 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 :: 8.525 HA :: 4.164 HB2 :: 1.935 HG2 :: 2.234 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 :: 120.983 Ave N Shift Values>> N :: 120.68(3.68) 1.A4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.77 M 0.18 C 0.02 C Shift Assignments>> C :: 174.782 CA :: 52.307 CB :: 19.258 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.312 HA :: 4.218 HB1 :: 1.315 HB2 :: 1.315 HB3 :: 1.315 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.434 Ave N Shift Values>> N :: 123.23(3.7) 1.A5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.77 M 0.18 C 0.02 C Shift Assignments>> C :: 174.327 CA :: 52.305 CB :: 19.433 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.234 HA :: 4.221 HB1 :: 1.311 HB2 :: 1.311 HB3 :: 1.311 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.847 Ave N Shift Values>> N :: 123.23(3.7) 1.G6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.75 L 0.09 C 0.08 R 0.04 C Shift Assignments>> C :: 178.709 CA :: 45.233 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.778 HA2 :: 3.309 HA3 :: 3.608 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.415 Ave N Shift Values>> N :: 109.91(4.29) 1.T7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 176.214 CA :: 59.421 CB :: 72.722 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 :: 7.721 HA :: 5.195 HB :: 4.266 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 :: 109.219 Ave N Shift Values>> N :: 115.7(5.05) 1.C8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.32 C 0.17 G 0.14 L 0.14 F 0.08 Y 0.05 K 0.04 I 0.01 D 0.01 C Shift Assignments>> C :: 177.743 CA :: 58.814 CB :: 43.791 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.456 HA :: 4.486 HB2 :: 1.885 HB3 :: 2.408 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 :: 116.727 Ave N Shift Values>> N :: 119.95(4.79) 1.G9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.31 L 0.24 R 0.24 C 0.1 F 0.02 D 0.02 Y 0.01 K 0.01 C Shift Assignments>> C :: 179.140 CA :: 44.196 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.438 HA2 :: 3.809 HA3 :: 4.375 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.893 Ave N Shift Values>> N :: 109.91(4.29) 1.D10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.22 L 0.2 K 0.16 C 0.1 F 0.09 Y 0.07 N 0.05 R 0.05 C Shift Assignments>> C :: 175.439 CA :: 54.978 CB :: 41.383 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 :: 8.065 HA :: 4.542 HB2 :: 2.475 HB3 :: 2.637 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 :: 117.384 Ave N Shift Values>> N :: 120.73(4.2) 1.I11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.56 C 0.42 C Shift Assignments>> C :: 177.576 CA :: 59.256 CB :: 38.209 CG1 :: 27.129 CG2 :: 17.735 CD1 :: 14.074 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 :: 8.151 HA :: 3.422 HB :: 1.355 HG12 :: 1.188 HG21 :: 0.370 HG22 :: 0.370 HG23 :: 0.370 HD11 :: 0.339 HD12 :: 0.339 HD13 :: 0.339 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 :: 120.949 Ave N Shift Values>> N :: 121.6(4.72) 1.P12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.72 C 0.27 C Shift Assignments>> C :: 177.178 CA :: 62.146 CB :: 32.333 CG :: 27.201 CD :: 50.459 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 :: 4.320 HB2 :: 1.693 HB3 :: 2.189 HG2 :: 1.693 HG3 :: 1.843 HD2 :: 2.674 HD3 :: 3.197 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) 1.E13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.36 M 0.15 K 0.04 Q 0.03 I 0.02 C Shift Assignments>> C :: 177.000 CA :: 56.105 CB :: 30.861 CG :: 36.337 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 :: 7.888 HA :: 4.077 HB2 :: 1.789 HG2 :: 2.058 HG3 :: 2.190 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 :: 117.831 Ave N Shift Values>> N :: 120.68(3.68) 1.L14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.3 C 0.24 L 0.22 R 0.2 C Shift Assignments>> C :: 176.533 CA :: 52.551 CB :: 43.895 CG :: 26.775 CD1 :: 28.226 CD2 :: 24.566 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 :: 8.533 HA :: 4.221 HB2 :: 0.575 HB3 :: 1.456 HG :: 0.938 HD11 :: 0.372 HD12 :: 0.372 HD13 :: 0.372 HD21 :: 0.459 HD22 :: 0.459 HD23 :: 0.459 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 :: 126.781 Ave N Shift Values>> N :: 121.98(4.07) 1.E15 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.32 E 0.31 K 0.14 Q 0.09 I 0.08 M 0.03 C Shift Assignments>> C :: 174.871 CA :: 57.800 CB :: 29.096 CG :: 35.809 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 :: 8.618 HA :: 3.729 HB2 :: 1.480 HB3 :: 1.667 HG2 :: 1.365(S) HG3 :: 1.833 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 :: 130.290 Ave N Shift Values>> N :: 120.68(3.68) 1.H16 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.47 H 0.29 W 0.23 C Shift Assignments>> C :: 179.064 CA :: 56.236 CB :: 25.765 CD2 :: 120.871 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 :: 8.716 HA :: 3.890 HB2 :: 1.489(S) HB3 :: 2.698 HD2 :: 6.892 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 :: 117.242 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.G17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.1 L 0.06 C Shift Assignments>> C :: 180.086 CA :: 46.118 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.688 HA2 :: 3.961 HA3 :: 4.543 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.264 Ave N Shift Values>> N :: 109.91(4.29) 1.W18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.51 C 0.46 H 0.01 HN Overlap>> 1.R97 1.R97 C Shift Assignments>> C :: 178.690 CA :: 56.426 CB :: 30.725 CD1 :: 127.763 CE3 :: 121.278 CZ2 :: 113.885 CH2 :: 124.040 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 :: 8.663 HA :: 5.042 HB2 :: 3.167 HB3 :: 3.378 HD1 :: 6.868 HE1 :: 9.850 HE3 :: 7.316 HZ2 :: 7.258 HH2 :: 7.046 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 :: 116.816 NE1 :: 128.809 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.A19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.84 M 0.1 C 0.03 L 0.01 C Shift Assignments>> C :: 173.806 CA :: 50.751 CB :: 20.075 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.588 HA :: 4.049 HB1 :: 0.783 HB2 :: 0.783 HB3 :: 0.783 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.585 Ave N Shift Values>> N :: 123.23(3.7) 1.Q20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.27 K 0.25 C 0.24 E 0.09 R 0.07 M 0.05 C Shift Assignments>> C :: 176.521 CA :: 55.705 CB :: 28.859 CG :: 33.663 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 :: 8.367 HA :: 4.190 HB2 :: 1.913 HB3 :: 2.042 HG2 :: 2.197 HE21 :: 6.832 HE22 :: 7.445 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 :: 121.293 NE2 :: 111.676 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.L21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.48 C 0.37 A 0.05 R 0.05 G 0.02 C Shift Assignments>> C :: 175.649 CA :: 56.391 CB :: 42.334 CG :: 26.908 CD1 :: 21.843 CD2 :: 24.312 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 :: 8.072 HA :: 4.179 HB2 :: 1.585 HG :: 1.580 HD11 :: 0.870 HD12 :: 0.870 HD13 :: 0.870 HD21 :: 0.920 HD22 :: 0.920 HD23 :: 0.920 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 :: 122.247 Ave N Shift Values>> N :: 121.98(4.07) 1.S22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 178.742 CA :: 57.705 CB :: 64.891 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.102 HA :: 4.678 HB2 :: 3.905 HB3 :: 4.066 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 :: 118.752 Ave N Shift Values>> N :: 116.3(3.95) 1.S23 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 181.583(A) CA :: 55.657 CB :: 64.371 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.698 HA :: 4.977 HB2 :: 3.660 HB3 :: 3.813 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 :: 117.464 Ave N Shift Values>> N :: 116.3(3.95) 1.P24 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.53 C 0.46 C Shift Assignments>> CA :: 61.081 CB :: 30.551 CG :: 26.350 CD :: 50.482 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 :: 3.121(S) HB2 :: 1.684 HB3 :: 1.927 HG2 :: 1.814 HG3 :: 1.987 HD2 :: 3.673 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) 1.P25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.9 P 0.09 C Shift Assignments>> C :: 178.136 CA :: 61.301 CB :: 34.742 CG :: 24.755 CD :: 50.726 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 :: 4.016 HB2 :: 1.174 HB3 :: 2.019 HG2 :: 1.676 HD2 :: 3.400 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) 1.Y26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.57 C 0.42 C Shift Assignments>> C :: 177.649 CA :: 56.068 CB :: 39.603 CD1 :: 133.516 CD2 :: 133.516 CE1 :: 118.000 CE2 :: 118.000 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 :: 8.330 HA :: 4.921 HB2 :: 2.813 HB3 :: 2.935 HD1 :: 7.309 HD2 :: 7.309 HE1 :: 6.688 HE2 :: 6.688 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 :: 121.120 Ave N Shift Values>> N :: 120.79(4.69) 1.Y27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.57 C 0.42 HN Overlap>> 1.N93 1.N93 C Shift Assignments>> C :: 175.840 CA :: 57.132 CB :: 39.949 CD1 :: 133.501 CD2 :: 133.501 CE1 :: 117.587 CE2 :: 117.587 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 :: 8.829 HA :: 4.816 HB2 :: 2.690 HB3 :: 3.132 HD1 :: 7.183 HD2 :: 7.183 HE1 :: 6.645 HE2 :: 6.645 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 :: 122.925 Ave N Shift Values>> N :: 120.79(4.69) 1.Y28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 Y 0.41 H 0.04 C Shift Assignments>> C :: 174.301 CA :: 57.387 CB :: 35.812 CD1 :: 131.743 CD2 :: 131.743 CE1 :: 117.733 CE2 :: 117.733 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 :: 8.003 HA :: 4.125 HB2 :: 3.038 HB3 :: 3.154 HD1 :: 6.951 HD2 :: 6.951 HE1 :: 6.534 HE2 :: 6.534 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 :: 118.878 Ave N Shift Values>> N :: 120.79(4.69) 1.G29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.64 L 0.14 C 0.09 R 0.08 F 0.01 C Shift Assignments>> C :: 177.605 CA :: 44.910 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.658 HA2 :: 3.370 HA3 :: 4.405 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 114.570 Ave N Shift Values>> N :: 109.91(4.29) 1.D30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.19 D 0.18 K 0.18 F 0.11 C 0.11 Y 0.09 R 0.05 N 0.03 C Shift Assignments>> C :: 176.489 CA :: 55.645 CB :: 41.366 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 :: 8.510 HA :: 4.802 HB2 :: 2.969 HB3 :: 3.198 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 :: 123.262 Ave N Shift Values>> N :: 120.73(4.2) 1.S31 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.5 T 0.49 C Shift Assignments>> C :: 178.498 CA :: 57.009 CB :: 67.283 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.588 HA :: 6.074(S) HB2 :: 3.727 HB3 :: 3.787 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 :: 113.260 Ave N Shift Values>> N :: 116.3(3.95) 1.V32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.56 C 0.42 C Shift Assignments>> CA :: 61.422 CB :: 35.560 CG1 :: 21.170 CG2 :: 21.380 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 :: 8.597 HA :: 4.130 HB :: 1.237 HG11 :: 0.293 HG12 :: 0.293 HG13 :: 0.293 HG21 :: 0.426 HG22 :: 0.426 HG23 :: 0.426 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 :: 122.805 Ave N Shift Values>> N :: 121.02(4.96) 1.E33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 E 0.25 M 0.2 I 0.01 C Shift Assignments>> C :: 177.198 CA :: 55.182 CB :: 32.441 CG :: 36.957 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 :: 8.210 HA :: 4.756 HB2 :: 1.711 HB3 :: 1.712 HG2 :: 2.067 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 :: 124.351 Ave N Shift Values>> N :: 120.68(3.68) 1.F34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.36 C 0.26 Y 0.22 G 0.13 C Shift Assignments>> C :: 177.411 CA :: 57.102 CB :: 43.469 CD1 :: 131.489 CD2 :: 131.489 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 :: 8.208 HA :: 4.914 HB2 :: 2.526 HD1 :: 6.843 HD2 :: 6.843 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 :: 118.844 Ave N Shift Values>> N :: 120.69(4.18) 1.N35 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> D 0.3 L 0.21 C 0.13 N 0.1 R 0.07 K 0.06 G 0.03 F 0.03 Y 0.02 C Shift Assignments>> C :: 178.204 CA :: 51.487 CB :: 42.199 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 :: 8.420 HA :: 4.510 HB2 :: 0.995(S) HB3 :: 1.815 HD21 :: 6.819 HD22 :: 7.205 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 :: 116.517 ND2 :: 112.423 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.C36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 N 0.24 C 0.12 L 0.11 F 0.08 Y 0.07 K 0.03 C Shift Assignments>> C :: 176.899 CA :: 53.612 CB :: 40.166 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.362 HA :: 5.137 HB2 :: 2.598 HB3 :: 3.039 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 :: 114.731 Ave N Shift Values>> N :: 119.95(4.79) 1.S37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 179.199 CA :: 59.655 CB :: 64.147 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.978 HA :: 4.593 HB2 :: 3.774 HB3 :: 4.106 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 :: 118.685 Ave N Shift Values>> N :: 116.3(3.95) 1.E38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.34 C 0.33 I 0.12 K 0.09 Q 0.05 M 0.04 C Shift Assignments>> C :: 174.450 CA :: 58.755 CB :: 29.816 CG :: 35.998 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 :: 8.717 HA :: 4.217 HB2 :: 2.063 HB3 :: 2.128 HG2 :: 2.401 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 :: 121.506 Ave N Shift Values>> N :: 120.68(3.68) 1.S39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 179.478 CA :: 58.613 CB :: 61.294 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.888 HA :: 4.765 HB2 :: 3.823 HB3 :: 4.014 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 :: 116.345 Ave N Shift Values>> N :: 116.3(3.95) 1.F40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.42 Y 0.32 C 0.24 C Shift Assignments>> C :: 177.864 CA :: 56.996 CB :: 41.547 CD1 :: 131.681 CD2 :: 131.681 CE1 :: 130.495 CE2 :: 130.495 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 :: 8.350 HA :: 4.817 HB2 :: 2.437 HB3 :: 3.281 HD1 :: 6.743 HD2 :: 6.743 HE1 :: 6.797 HE2 :: 6.797 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 :: 120.349 Ave N Shift Values>> N :: 120.69(4.18) 1.T41 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 :: 179.959 CA :: 60.721 CB :: 71.049 CG2 :: 20.358 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 :: 9.369 HA :: 4.602 HB :: 3.722 HG21 :: 1.030 HG22 :: 1.030 HG23 :: 1.030 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 :: 117.771 Ave N Shift Values>> N :: 115.7(5.05) 1.M42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 M 0.45 A 0.07 I 0.01 C Shift Assignments>> C :: 176.080 CA :: 56.438 CB :: 34.721 CG :: 32.329 CE :: 16.900 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 :: 8.415 HA :: 4.910 HB2 :: 2.000 HG2 :: 2.276 HE1 :: 1.768 HE2 :: 1.768 HE3 :: 1.768 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 :: 127.580 Ave N Shift Values>> N :: 120.1(3.88) 1.I43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.61 C 0.38 C Shift Assignments>> C :: 176.215 CA :: 60.132 CB :: 38.231 CG1 :: 26.734 CG2 :: 17.260 CD1 :: 11.972 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 :: 9.379 HA :: 4.319 HB :: 1.834 HG12 :: 1.252 HG13 :: 1.306 HG21 :: 0.837 HG22 :: 0.837 HG23 :: 0.837 HD11 :: 0.623 HD12 :: 0.623 HD13 :: 0.623 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 :: 129.786 Ave N Shift Values>> N :: 121.6(4.72) 1.G44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.31 L 0.29 K 0.09 C 0.07 D 0.07 F 0.05 Y 0.03 G 0.03 I 0.01 HN Overlap>> 1.I94 1.I94 C Shift Assignments>> C :: 179.532 CA :: 42.879 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.653 HA2 :: 3.645 HA3 :: 4.488 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 116.400 Ave N Shift Values>> N :: 109.91(4.29) 1.H45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.33 W 0.32 C 0.32 C Shift Assignments>> C :: 175.679 CA :: 57.016 CB :: 31.231 CD2 :: 119.630 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 :: 7.990 HA :: 4.488 HB2 :: 3.079 HB3 :: 3.196 HD2 :: 7.258 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 :: 119.036 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.R46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.41 C 0.39 G 0.11 K 0.07 C Shift Assignments>> C :: 177.955 CA :: 57.854 CB :: 31.017 CG :: 26.498 CD :: 43.733 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 :: 7.791 HA :: 4.288 HB2 :: 1.754 HB3 :: 2.115 HG2 :: 1.532 HD2 :: 3.172 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 :: 119.849 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.S47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.93 T 0.06 C Shift Assignments>> C :: 177.664 CA :: 55.728 CB :: 66.232 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.127 HA :: 5.746 HB2 :: 3.623 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 :: 111.750 Ave N Shift Values>> N :: 116.3(3.95) 1.I48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.6 C 0.39 C Shift Assignments>> C :: 177.271 CA :: 59.690 CB :: 40.371 CG1 :: 25.294 CG2 :: 17.903 CD1 :: 13.383 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 :: 8.785 HA :: 4.567 HB :: 2.016 HG12 :: 1.394 HG21 :: 0.706 HG22 :: 0.706 HG23 :: 0.706 HD11 :: 0.044 HD12 :: 0.044 HD13 :: 0.044 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 :: 114.914 Ave N Shift Values>> N :: 121.6(4.72) 1.T49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.87 C 0.12 C Shift Assignments>> C :: 179.130 CA :: 61.354 CB :: 71.822 CG2 :: 21.563 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 :: 8.918 HA :: 5.414 HB :: 3.659 HG21 :: 1.049 HG22 :: 1.049 HG23 :: 1.049 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 :: 117.217 Ave N Shift Values>> N :: 115.7(5.05) 1.C50 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> N 0.31 C 0.19 D 0.14 Y 0.13 F 0.1 E 0.03 L 0.03 I 0.01 M 0.01 C Shift Assignments>> C :: 179.133 CA :: 54.425 CB :: 38.481 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.652 HA :: 3.904 HB2 :: 1.419(S) HB3 :: 2.782 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 :: 126.275 Ave N Shift Values>> N :: 119.95(4.79) 1.I51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.66 I 0.32 C Shift Assignments>> C :: 176.110 CA :: 59.350 CB :: 37.953 CG1 :: 26.261 CD1 :: 16.859 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 :: 8.449 HA :: 4.052 HB :: 1.765 HG12 :: 0.902 HG21 :: 1.238 HG22 :: 1.238 HG23 :: 1.238 HD11 :: 0.634 HD12 :: 0.634 HD13 :: 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 :: 130.953 Ave N Shift Values>> N :: 121.6(4.72) 1.H52 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.36 W 0.34 C 0.28 C Shift Assignments>> C :: 177.470 CA :: 57.026 CB :: 28.517 CD2 :: 119.848 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 :: 7.977 HA :: 3.030 HB2 :: 2.805 HB3 :: 3.232 HD2 :: 6.899 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 :: 124.228 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) SRO Rule Breaks>> (HA > HB3 : 0.9952) 1.G53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.11 L 0.05 C Shift Assignments>> C :: 178.626 CA :: 46.203 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 6.011 HA2 :: 3.447 HA3 :: 4.200 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 101.361 Ave N Shift Values>> N :: 109.91(4.29) 1.V54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 V 0.49 C Shift Assignments>> C :: 177.064 CA :: 60.298 CB :: 35.020 CG1 :: 20.650 CG2 :: 21.226 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 :: 7.486 HA :: 4.204 HB :: 1.966 HG11 :: 0.825 HG12 :: 0.825 HG13 :: 0.825 HG21 :: 0.951 HG22 :: 0.951 HG23 :: 0.951 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 :: 121.957 Ave N Shift Values>> N :: 121.02(4.96) 1.W55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.51 C 0.46 H 0.01 C Shift Assignments>> C :: 173.430 CA :: 56.963 CB :: 31.029 CD1 :: 126.691 CE3 :: 120.065 CZ2 :: 114.617 CZ3 :: 122.069 CH2 :: 123.062 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 :: 8.272 HA :: 5.118 HB2 :: 2.991 HB3 :: 3.305 HD1 :: 7.179 HE1 :: 9.237 HE3 :: 7.006 HZ2 :: 6.772 HZ3 :: 6.785 HH2 :: 6.359 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 :: 127.157 NE1 :: 127.882 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.T56 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 :: 179.179 CA :: 62.716 CB :: 69.779 CG2 :: 22.729 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 :: 8.418 HA :: 4.316 HB :: 4.746 HG21 :: 1.485 HG22 :: 1.485 HG23 :: 1.485 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 :: 112.350 Ave N Shift Values>> N :: 115.7(5.05) 1.Q57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 Q 0.24 K 0.22 M 0.13 E 0.08 R 0.05 C Shift Assignments>> C :: 175.538 CA :: 56.888 CB :: 29.919 CG :: 33.213 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 :: 7.919 HA :: 3.985 HB2 :: 1.951 HB3 :: 2.064 HG2 :: 2.395 HG3 :: 2.469 HE21 :: 6.867 HE22 :: 7.744 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>> N :: 114.825 NE2 :: 113.551 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.L58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.64 C 0.21 K 0.06 G 0.06 R 0.01 C Shift Assignments>> C :: 176.329 CA :: 54.234 CB :: 42.863 CD1 :: 25.393 CD2 :: 25.532 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 :: 8.374 HA :: 3.888 HB2 :: 1.413 HD11 :: 0.239 HD12 :: 0.239 HD13 :: 0.239 HD21 :: 0.511 HD22 :: 0.511 HD23 :: 0.511 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 :: 128.370 Ave N Shift Values>> N :: 121.98(4.07) 1.P59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.59 C 0.38 G 0.01 C Shift Assignments>> C :: 178.992 CA :: 62.375 CB :: 32.484 CG :: 26.238 CD :: 48.749 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 :: 4.596 HB2 :: 1.532 HB3 :: 2.100 HG2 :: 1.150 HG3 :: 1.804 HD2 :: 2.821 HD3 :: 3.249 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) 1.Q60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.43 C 0.38 Q 0.1 E 0.06 C Shift Assignments>> C :: 177.301 CA :: 54.422 CB :: 32.896 CG :: 34.018 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 :: 8.188 HA :: 4.464 HB2 :: 1.743 HB3 :: 1.857 HG2 :: 2.179 HG3 :: 2.201 HE21 :: 6.676 HE22 :: 7.431 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 :: 112.916 NE2 :: 111.136 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.C61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.18 N 0.12 C 0.11 K 0.1 F 0.07 Y 0.06 R 0.02 HN Overlap>> 1.H90 1.H90 C Shift Assignments>> C :: 178.068 CA :: 53.946 CB :: 41.030 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 9.079 HA :: 5.255 HB2 :: 2.589 HB3 :: 2.931 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 :: 122.368 Ave N Shift Values>> N :: 119.95(4.79) 1.V62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.48 C 0.41 M 0.07 I 0.02 C Shift Assignments>> C :: 176.934 CA :: 60.957 CB :: 34.818 CG2 :: 21.151 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 :: 9.200 HA :: 4.369 HB :: 1.716 HG11 :: 0.772 HG12 :: 0.772 HG13 :: 0.772 HG21 :: 0.808 HG22 :: 0.808 HG23 :: 0.808 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 :: 124.070 Ave N Shift Values>> N :: 121.02(4.96) 1.A63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.73 M 0.23 C 0.01 C Shift Assignments>> C :: 173.185 CA :: 52.624 CB :: 18.417 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.872 HA :: 3.521 HB1 :: 1.011 HB2 :: 1.011 HB3 :: 1.011 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 131.507 Ave N Shift Values>> N :: 123.23(3.7) 1.I64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.88 C 0.11 C Shift Assignments>> C :: 174.494 CA :: 64.173 CB :: 38.147 CG1 :: 28.901 CG2 :: 16.692 CD1 :: 12.974 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 :: 7.826 HA :: 3.547 HB :: 1.571 HG12 :: 1.281 HG21 :: 0.984 HG22 :: 0.984 HG23 :: 0.984 HD11 :: 0.763 HD12 :: 0.763 HD13 :: 0.763 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 :: 121.731 Ave N Shift Values>> N :: 121.6(4.72) 1.D65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.26 N 0.17 C 0.14 F 0.12 Y 0.12 L 0.11 K 0.03 I 0.01 C Shift Assignments>> C :: 175.541 CA :: 54.726 CB :: 39.958 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 :: 8.269 HA :: 4.353 HB2 :: 2.499 HB3 :: 2.626 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 :: 117.165 Ave N Shift Values>> N :: 120.73(4.2) 1.K66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.53 C 0.42 M 0.03 C Shift Assignments>> C :: 175.409 CA :: 54.741 CB :: 32.706 CG :: 24.595 CD :: 28.500 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 :: 7.699 HA :: 4.308 HB2 :: 1.634 HB3 :: 1.914 HG2 :: 1.235 HG3 :: 1.354 HD2 :: 1.533 HD3 :: 1.572 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 :: 118.136 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.49 C 0.31 A 0.1 G 0.06 K 0.01 C Shift Assignments>> C :: 174.530 CA :: 55.249 CB :: 42.791 CD1 :: 22.181 CD2 :: 25.453 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 :: 7.078 HA :: 4.019 HB2 :: 0.974 HB3 :: 1.546 HD11 :: 0.154 HD12 :: 0.154 HD13 :: 0.154 HD21 :: 0.596 HD22 :: 0.596 HD23 :: 0.596 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 :: 122.303 Ave N Shift Values>> N :: 121.98(4.07) 1.K68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.41 C 0.41 R 0.15 G 0.01 C Shift Assignments>> C :: 176.752 CA :: 56.336 CB :: 33.401 CE :: 42.163 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 :: 8.525 HA :: 4.115 HB2 :: 1.115 HB3 :: 1.635 HE2 :: 2.949 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 :: 124.268 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 K 0.45 M 0.02 C Shift Assignments>> C :: 174.624 CA :: 55.611 CB :: 34.170 CG :: 26.112 CD :: 29.516 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 :: 7.892 HA :: 4.525 HB2 :: 1.426 HB3 :: 1.618 HG2 :: 1.339 HE2 :: 2.911 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 :: 117.415 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.C70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.21 L 0.19 R 0.16 F 0.11 C 0.11 Y 0.08 D 0.08 I 0.01 C Shift Assignments>> C :: 177.721 CA :: 56.982 CB :: 42.147 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.963 HA :: 4.394 HB2 :: 1.604 HB3 :: 1.674 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 :: 117.473 Ave N Shift Values>> N :: 119.95(4.79) 1.K71 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 0.01 G 0.01 HN Overlap>> 1.K86 1.K86 C Shift Assignments>> C :: 174.320 CA :: 55.898 CB :: 34.499 CG :: 25.207 CD :: 29.072 CE :: 42.184 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 :: 8.613 HA :: 4.984 HB2 :: 1.829 HB3 :: 2.081 HG2 :: 1.572 HD2 :: 1.726 HE2 :: 3.004 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 :: 121.934 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.S72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 178.513 CA :: 57.382 CB :: 63.895 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.400 HA :: 4.444 HB2 :: 3.969 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 :: 116.907 Ave N Shift Values>> N :: 116.3(3.95) 1.S73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.284 CA :: 56.722 CB :: 64.790 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.641 HA :: 4.692 HB2 :: 3.384 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 :: 113.775 Ave N Shift Values>> N :: 116.3(3.95) 1.N74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.34 C 0.23 Y 0.11 D 0.08 E 0.07 F 0.07 M 0.02 L 0.01 I 0.01 C Shift Assignments>> CA :: 54.122 CB :: 37.686 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>> HA :: 4.729 HB2 :: 2.848 HB3 :: 2.906 HD21 :: 6.872 HD22 :: 7.588 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>> ND2 :: 112.093 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.L75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.29 G 0.06 A 0.05 K 0.01 C Shift Assignments>> C :: 175.823 CA :: 55.646 CB :: 42.923 CD1 :: 22.607 CD2 :: 25.152 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 :: 8.136 HA :: 4.189 HB2 :: 1.475 HD11 :: 0.742 HD12 :: 0.742 HD13 :: 0.742 HD21 :: 0.792 HD22 :: 0.792 HD23 :: 0.792 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 :: 118.332 Ave N Shift Values>> N :: 121.98(4.07) 1.I76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 I 0.43 A 0.01 C Shift Assignments>> C :: 177.717 CA :: 59.391 CB :: 40.361 CG1 :: 24.108 CG2 :: 18.862 CD1 :: 12.389 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 :: 6.788 HA :: 4.882 HB :: 1.716 HG12 :: 1.012 HG13 :: 1.046 HG21 :: 0.317 HG22 :: 0.317 HG23 :: 0.317 HD11 :: 0.089 HD12 :: 0.089 HD13 :: 0.089 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 :: 108.944 Ave N Shift Values>> N :: 121.6(4.72) 1.I77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.66 C 0.33 C Shift Assignments>> C :: 176.822 CA :: 60.551 CB :: 39.233 CG2 :: 17.353 CD1 :: 13.294 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 :: 9.111 HA :: 4.233 HB :: 1.543 HG21 :: 0.893 HG22 :: 0.893 HG23 :: 0.893 HD11 :: 0.704 HD12 :: 0.704 HD13 :: 0.704 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 :: 123.448 Ave N Shift Values>> N :: 121.6(4.72) 1.L78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.38 L 0.36 C 0.19 R 0.04 A 0.01 C Shift Assignments>> C :: 174.316 CA :: 53.304 CB :: 44.438 CG :: 26.741 CD1 :: 24.119 CD2 :: 26.535 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 :: 8.183 HA :: 4.889 HB2 :: 1.543 HB3 :: 1.749 HG :: 1.591 HD11 :: 0.792 HD12 :: 0.792 HD13 :: 0.792 HD21 :: 1.006 HD22 :: 1.006 HD23 :: 1.006 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 :: 125.733 Ave N Shift Values>> N :: 121.98(4.07) 1.E79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.62 E 0.19 I 0.12 M 0.04 C Shift Assignments>> C :: 173.708 CA :: 57.836 CB :: 31.602 CG :: 38.628 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 :: 8.943 HA :: 4.193 HB2 :: 1.769 HB3 :: 2.198 HG2 :: 1.953 HG3 :: 2.328 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 :: 119.178 Ave N Shift Values>> N :: 120.68(3.68) 1.E80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 E 0.32 I 0.17 K 0.06 Q 0.04 M 0.04 C Shift Assignments>> C :: 173.810 CA :: 60.090 CB :: 30.107 CG :: 35.783 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 :: 8.779 HA :: 3.904 HB2 :: 2.117 HB3 :: 2.194 HG2 :: 2.351 HG3 :: 2.388 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 :: 120.500 Ave N Shift Values>> N :: 120.68(3.68) 1.H81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.38 C 0.34 W 0.26 C Shift Assignments>> C :: 176.047 CA :: 58.175 CB :: 29.403 CD2 :: 118.380 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 :: 8.424 HA :: 4.577 HB2 :: 3.010 HB3 :: 3.298 HD2 :: 6.978 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 :: 113.752 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.L82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 C 0.21 G 0.12 R 0.06 A 0.03 C Shift Assignments>> C :: 174.797 CA :: 54.179 CB :: 43.497 CG :: 26.298 CD1 :: 26.198 CD2 :: 23.395 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 :: 7.540 HA :: 4.505 HB2 :: 1.647 HB3 :: 1.799 HG :: 1.062 HD11 :: 0.575 HD12 :: 0.575 HD13 :: 0.575 HD21 :: 0.916 HD22 :: 0.916 HD23 :: 0.916 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 :: 120.583 Ave N Shift Values>> N :: 121.98(4.07) 1.K83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.38 R 0.16 M 0.03 G 0.01 C Shift Assignments>> C :: 175.315 CA :: 59.181 CB :: 32.546 CG :: 24.185 CD :: 29.468 CE :: 42.220 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 :: 7.219 HA :: 3.971 HB2 :: 1.764 HB3 :: 1.913 HG2 :: 1.359 HG3 :: 1.487 HD2 :: 1.710 HE2 :: 2.987 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 :: 117.744 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.N84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.46 C 0.17 D 0.15 Y 0.08 F 0.06 L 0.02 E 0.01 C Shift Assignments>> C :: 177.068 CA :: 53.103 CB :: 38.479 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 :: 8.499 HA :: 4.722 HB2 :: 2.724 HB3 :: 2.900 HD21 :: 6.970 HD22 :: 7.603 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 :: 115.608 ND2 :: 113.422 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.K85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.44 C 0.42 R 0.12 C Shift Assignments>> C :: 175.827 CA :: 56.753 CB :: 32.760 CG :: 24.611 CE :: 42.004 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 :: 7.675 HA :: 4.062 HB2 :: 1.380 HB3 :: 1.586 HG2 :: 1.205 HD2 :: 1.424 HD3 :: 1.492 HE2 :: 2.750 HE3 :: 2.834 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 :: 122.270 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.4 R 0.15 M 0.01 G 0.01 HN Overlap>> 1.K71 1.K71 C Shift Assignments>> C :: 175.407 CA :: 56.740 CB :: 33.813 CG :: 24.797 CD :: 28.740 CE :: 42.210 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 :: 8.545 HA :: 4.390 HB2 :: 1.720 HB3 :: 1.887 HG2 :: 1.402 HG3 :: 1.448 HD2 :: 1.643 HE2 :: 2.948 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 :: 121.929 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 M 0.3 E 0.14 Q 0.02 C Shift Assignments>> C :: 178.111 CA :: 54.460 CB :: 33.205 CG :: 35.880 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 :: 7.293 HA :: 5.107 HB2 :: 1.644 HB3 :: 1.873 HG2 :: 1.978 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 :: 116.066 Ave N Shift Values>> N :: 120.68(3.68) 1.F88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.44 C 0.31 Y 0.19 G 0.04 C Shift Assignments>> C :: 178.028 CA :: 57.010 CB :: 42.733 CD1 :: 132.164 CD2 :: 132.164 CE1 :: 131.557 CE2 :: 131.557 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 :: 8.989 HA :: 4.598 HB2 :: 2.594 HB3 :: 3.108 HD1 :: 7.273 HD2 :: 7.273 HE1 :: 7.272 HE2 :: 7.272 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 :: 119.588 Ave N Shift Values>> N :: 120.69(4.18) 1.D89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.23 D 0.22 K 0.16 C 0.1 R 0.08 F 0.07 Y 0.05 N 0.04 C Shift Assignments>> C :: 174.433 CA :: 54.546 CB :: 41.831 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 :: 8.568 HA :: 4.491 HB2 :: 2.436 HB3 :: 2.649 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 :: 119.841 Ave N Shift Values>> N :: 120.73(4.2) 1.H90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 W 0.31 H 0.26 HN Overlap>> 1.C61 1.C61 C Shift Assignments>> C :: 176.084 CA :: 59.310 CB :: 31.846 CD2 :: 118.941 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 :: 9.078 HA :: 4.015 HB2 :: 2.801 HB3 :: 3.021 HD2 :: 6.901 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 :: 122.373 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.N91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.3 C 0.27 E 0.12 Y 0.1 M 0.05 F 0.05 D 0.04 K 0.01 C Shift Assignments>> C :: 176.278 CA :: 54.096 CB :: 37.051 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 :: 9.275 HA :: 4.054 HB2 :: 2.611 HB3 :: 2.971 HD21 :: 6.654 HD22 :: 7.467 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 :: 122.912 ND2 :: 109.715 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.S92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 179.768 CA :: 60.660 CB :: 63.898 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.983 HA :: 4.477 HB2 :: 3.975 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 :: 115.444 Ave N Shift Values>> N :: 116.3(3.95) 1.N93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 N 0.22 L 0.14 C 0.11 K 0.05 F 0.05 Y 0.04 R 0.01 HN Overlap>> 1.Y27 1.Y27 C Shift Assignments>> C :: 177.140 CA :: 52.435 CB :: 40.891 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 :: 8.842 HA :: 5.466 HB2 :: 2.741 HB3 :: 2.789 HD21 :: 7.031 HD22 :: 7.452 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 :: 123.037 ND2 :: 113.403 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.I94 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.47 C 0.45 G 0.06 HN Overlap>> 1.G44 1.G44 C Shift Assignments>> C :: 177.903 CA :: 59.530 CB :: 42.574 CG1 :: 25.920 CG2 :: 17.735 CD1 :: 12.432 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 :: 8.691 HA :: 4.711 HB :: 1.483 HG12 :: 0.320 HG13 :: 0.681 HG21 :: 0.370 HG22 :: 0.370 HG23 :: 0.370 HD11 :: -0.531(S) HD12 :: -0.531(S) HD13 :: -0.531(S) 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 :: 116.481 Ave N Shift Values>> N :: 121.6(4.72) 1.R95 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.41 R 0.28 G 0.18 K 0.11 C Shift Assignments>> C :: 177.792 CA :: 53.662 CB :: 33.025 CG :: 26.226 CD :: 43.655 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 :: 7.580 HA :: 5.400 HB2 :: 1.234 HG2 :: 1.148 HD2 :: 2.356(S) HD3 :: 2.678 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 :: 118.258 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.Y96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.49 C 0.37 G 0.13 C Shift Assignments>> C :: 179.691 CA :: 55.593 CB :: 43.159 CD1 :: 133.228 CD2 :: 133.228 CE1 :: 118.026 CE2 :: 118.026 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 :: 9.283 HA :: 5.676 HB2 :: 2.340 HB3 :: 2.821 HD1 :: 6.372 HD2 :: 6.372 HE1 :: 6.289 HE2 :: 6.289 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 :: 119.766 Ave N Shift Values>> N :: 120.79(4.69) 1.R97 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.44 R 0.22 K 0.17 G 0.15 HN Overlap>> 1.W18 1.W18 C Shift Assignments>> C :: 175.514 CA :: 53.580 CB :: 33.507 CG :: 26.092 CD :: 43.435 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 :: 8.703 HA :: 4.585 HB2 :: 0.849(S) HB3 :: 1.028 HG2 :: 0.344(S) HG3 :: 0.607(S) HD2 :: 1.744(S) HD3 :: 2.352(S) 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 :: 116.863 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.C98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.32 D 0.19 C 0.17 Y 0.11 F 0.09 L 0.04 E 0.01 C Shift Assignments>> C :: 176.776 CA :: 54.147 CB :: 38.857 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.972 HA :: 4.934 HB2 :: 2.434 HB3 :: 3.287 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 :: 120.670 Ave N Shift Values>> N :: 119.95(4.79) 1.R99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.36 G 0.08 K 0.07 L 0.03 HN Overlap>> 1.E102 1.E102 C Shift Assignments>> C :: 174.459 CA :: 58.480 CB :: 29.493 CG :: 27.247 CD :: 43.415 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 :: 8.599 HA :: 3.798 HB2 :: 1.672 HG2 :: 1.554 HD2 :: 3.123 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 :: 122.346 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.G100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 L 0.08 C 0.07 R 0.03 C Shift Assignments>> C :: 178.498 CA :: 45.398 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.688 HA2 :: 3.692 HA3 :: 4.029 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.051 Ave N Shift Values>> N :: 109.91(4.29) 1.K101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.86 G 0.04 R 0.04 K 0.03 A 0.01 C Shift Assignments>> C :: 175.865 CA :: 54.352 CB :: 35.005 CG :: 24.465 CD :: 24.498 CE :: 42.303 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 :: 7.705 HA :: 4.630 HB2 :: 1.640 HB3 :: 1.714 HD2 :: 1.216 HD3 :: 1.275 HE2 :: 2.919 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 :: 119.113 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.35 C 0.34 M 0.15 K 0.05 Q 0.05 I 0.03 HN Overlap>> 1.R99 1.R99 C Shift Assignments>> C :: 175.153 CA :: 56.586 CB :: 30.844 CG :: 36.095 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 :: 8.546 HA :: 4.031 HB2 :: 1.806 HB3 :: 1.899 HG2 :: 2.158 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 :: 122.320 Ave N Shift Values>> N :: 120.68(3.68) 1.G103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.63 L 0.14 C 0.09 R 0.08 F 0.01 D 0.01 C Shift Assignments>> C :: 179.584 CA :: 44.898 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.011 HA2 :: 3.624 HA3 :: 3.977 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.148 Ave N Shift Values>> N :: 109.91(4.29) 1.W104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.5 C 0.47 H 0.01 C Shift Assignments>> C :: 175.469 CA :: 56.583 CB :: 31.107 CD1 :: 127.796 CE3 :: 122.361 CZ2 :: 114.339 CH2 :: 124.203 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 :: 8.216 HA :: 4.585 HB2 :: 2.680 HB3 :: 2.914 HD1 :: 7.223 HE1 :: 10.099 HE3 :: 6.988 HZ2 :: 7.439 HH2 :: 6.942 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 :: 122.547 NE1 :: 128.945 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.I105 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.67 C 0.32 C Shift Assignments>> C :: 177.874 CA :: 60.664 CB :: 39.456 CG1 :: 26.854 CG2 :: 18.662 CD1 :: 13.510 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 :: 9.415 HA :: 4.027 HB :: 0.359(S) HG12 :: 1.128 HG21 :: 0.731 HG22 :: 0.731 HG23 :: 0.731 HD11 :: 0.616 HD12 :: 0.616 HD13 :: 0.616 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 :: 126.657 Ave N Shift Values>> N :: 121.6(4.72) 1.H106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 H 0.32 W 0.31 C Shift Assignments>> C :: 176.865 CA :: 55.551 CB :: 31.970 CD2 :: 121.351 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 :: 8.176 HA :: 5.332 HB2 :: 2.958 HB3 :: 3.043 HD2 :: 6.897 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 :: 123.728 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.T107 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.87 C 0.1 S 0.01 C Shift Assignments>> C :: 181.273(S) CA :: 61.137 CB :: 67.905 CG2 :: 21.298 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 :: 8.544 HA :: 4.743 HB :: 4.235 HG21 :: 0.539 HG22 :: 0.539 HG23 :: 0.539 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 :: 118.691 Ave N Shift Values>> N :: 115.7(5.05) 1.V108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.62 V 0.36 C Shift Assignments>> C :: 177.517 CA :: 59.765 CB :: 35.871 CG1 :: 21.041 CG2 :: 21.830 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 :: 8.181 HA :: 5.258 HB :: 2.041 HG11 :: 0.872 HG12 :: 0.872 HG13 :: 0.872 HG21 :: 0.889 HG22 :: 0.889 HG23 :: 0.889 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 :: 125.234 Ave N Shift Values>> N :: 121.02(4.96) 1.C109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.35 C 0.2 D 0.13 Y 0.12 F 0.09 E 0.03 L 0.02 M 0.01 I 0.01 C Shift Assignments>> C :: 178.724 CA :: 54.175 CB :: 38.319 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.489 HA :: 4.135 HB2 :: 2.102 HB3 :: 2.636 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 :: 124.839 Ave N Shift Values>> N :: 119.95(4.79) 1.I110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 I 0.42 A 0.01 C Shift Assignments>> C :: 175.251 CA :: 58.680 CB :: 36.923 CG1 :: 25.915 CG2 :: 17.732 CD1 :: 11.553 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 :: 9.210 HA :: 4.671 HB :: 2.050 HG12 :: 1.264 HG13 :: 1.531 HG21 :: 0.947 HG22 :: 0.947 HG23 :: 0.947 HD11 :: 0.797 HD12 :: 0.797 HD13 :: 0.797 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 :: 132.815 Ave N Shift Values>> N :: 121.6(4.72) 1.N111 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> N 0.43 C 0.17 D 0.16 Y 0.09 F 0.07 L 0.03 E 0.01 C Shift Assignments>> C :: 176.781 CA :: 53.394 CB :: 38.540 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 :: 12.138(S) HA :: 4.405 HB2 :: 2.000 HB3 :: 3.062 HD21 :: 6.717 HD22 :: 7.469 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 :: 131.555 ND2 :: 108.941 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.G112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.09 L 0.06 R 0.01 C Shift Assignments>> C :: 178.549 CA :: 45.868 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 6.227 HA2 :: 3.213 HA3 :: 3.904 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 102.098 Ave N Shift Values>> N :: 109.91(4.29) 1.R113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 R 0.33 G 0.15 K 0.1 C Shift Assignments>> C :: 177.904 CA :: 53.623 CB :: 33.008 CG :: 26.847 CD :: 43.495 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 :: 7.753 HA :: 4.563 HB2 :: 1.668 HB3 :: 1.764 HG2 :: 1.544 HG3 :: 1.599 HD2 :: 3.157 HD3 :: 3.203 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 :: 123.338 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.W114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.51 C 0.45 H 0.02 C Shift Assignments>> C :: 176.136 CA :: 56.658 CB :: 29.696 CD1 :: 126.667 CE3 :: 122.776 CZ2 :: 112.629 CZ3 :: 121.488 CH2 :: 123.550 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 :: 8.130 HA :: 4.877 HB2 :: 2.780 HB3 :: 3.489 HD1 :: 7.171 HE1 :: 9.545 HE3 :: 7.256 HZ2 :: 6.537 HZ3 :: 6.546 HH2 :: 6.051 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 :: 126.641 NE1 :: 124.975 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.D115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.77 L 0.08 C 0.07 R 0.03 D 0.02 C Shift Assignments>> C :: 177.801 CA :: 50.948 CB :: 44.436 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 :: 9.340 HA :: 4.850 HB2 :: 2.258 HB3 :: 2.982 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 :: 124.394 Ave N Shift Values>> N :: 120.73(4.2) 1.P116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.54 C 0.45 C Shift Assignments>> C :: 175.094 CA :: 63.000 CB :: 34.755 CG :: 25.928 CD :: 50.346 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 :: 4.960 HB2 :: 2.120 HB3 :: 2.528 HG2 :: 1.960 HG3 :: 2.078 HD2 :: 3.699 HD3 :: 3.900 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) 1.E117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.35 M 0.09 K 0.07 I 0.05 Q 0.04 C Shift Assignments>> C :: 175.107 CA :: 57.005 CB :: 30.297 CG :: 36.289 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 :: 8.564 HA :: 4.085 HB2 :: 1.968 HG2 :: 2.401 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 :: 120.463 Ave N Shift Values>> N :: 120.68(3.68) 1.V118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.78 C 0.21 C Shift Assignments>> C :: 175.856 CA :: 63.032 CB :: 31.402 CG1 :: 20.065 CG2 :: 21.176 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 :: 8.460 HA :: 3.635 HB :: 1.618 HG11 :: 0.179 HG12 :: 0.179 HG13 :: 0.179 HG21 :: 0.291 HG22 :: 0.291 HG23 :: 0.291 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 :: 124.626 Ave N Shift Values>> N :: 121.02(4.96) 1.N119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.32 D 0.3 C 0.12 L 0.09 F 0.06 Y 0.06 K 0.01 C Shift Assignments>> C :: 177.677 CA :: 52.835 CB :: 40.009 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 :: 8.166 HA :: 4.811 HB2 :: 2.597 HB3 :: 2.777 HD21 :: 6.863 HD22 :: 7.542 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 :: 125.602 ND2 :: 112.280 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.C120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.4 D 0.21 C 0.15 Y 0.08 F 0.07 L 0.04 C Shift Assignments>> C :: 177.903 CA :: 53.225 CB :: 39.087 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.409 HA :: 5.032 HB2 :: 2.420 HB3 :: 3.447 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 :: 121.474 Ave N Shift Values>> N :: 119.95(4.79) 1.S121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.97 T 0.02 C Shift Assignments>> C :: 173.362 CA :: 60.377 CB :: 64.824 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.049 HA :: 4.235 HB2 :: 3.835 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 :: 123.015 Ave N Shift Values>> N :: 116.3(3.95) ########################################################################### Overall Results: #Consistent: 107 #Clerical: 0 #Suspicious: 13 #Anomalous: 1 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 119 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 2 Shift Relative Order (SRO) Results: #Consistent: 120 #Suspicious: 1 C Shift Results: #Consistent: 506 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 1 H Shift Results: #Consistent: 729 #Duplicate: 0 #Unknown: 0 #Suspicious: 17 #Anomalous: 0 N Shift Results: #Consistent: 127 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.E15 HG2 = 1.365(S), Expected = 2.31, Std = 0.2100, ChiSquare = 6.7953e-06 1.H16 HB2 = 1.489(S), Expected = 3.12, Std = 0.4300, ChiSquare = 1.4882e-04 1.S23 C = 181.583(A), Expected = 174.53, Std = 1.7300, ChiSquare = 4.5644e-05 1.P24 HA = 3.121(S), Expected = 4.41, Std = 0.3600, ChiSquare = 3.4286e-04 1.S31 HA = 6.074(S), Expected = 4.51, Std = 0.4300, ChiSquare = 2.7561e-04 1.N35 HB2 = 0.995(S), Expected = 2.80, Std = 0.3400, ChiSquare = 1.1034e-07 1.C50 HB2 = 1.419(S), Expected = 2.95, Std = 0.4300, ChiSquare = 3.7020e-04 1.H52 SRO Rule Break>> HA > HB3 : 0.995208761122519 1.I94 HD11 = -0.531(S), Expected = 0.70, Std = 0.3000, ChiSquare = 4.0724e-05 1.I94 HD12 = -0.531(S), Expected = 0.70, Std = 0.3000, ChiSquare = 4.0724e-05 1.I94 HD13 = -0.531(S), Expected = 0.70, Std = 0.3000, ChiSquare = 4.0724e-05 1.R95 HD2 = 2.356(S), Expected = 3.13, Std = 0.2300, ChiSquare = 7.6483e-04 1.R97 HB2 = 0.849(S), Expected = 1.79, Std = 0.2800, ChiSquare = 7.7741e-04 1.R97 HG2 = 0.344(S), Expected = 1.58, Std = 0.2700, ChiSquare = 4.6994e-06 1.R97 HG3 = 0.607(S), Expected = 1.58, Std = 0.2700, ChiSquare = 3.1371e-04 1.R97 HD2 = 1.744(S), Expected = 3.13, Std = 0.2300, ChiSquare = 1.6798e-09 1.R97 HD3 = 2.352(S), Expected = 3.13, Std = 0.2200, ChiSquare = 4.0568e-04 1.I105 HB = 0.359(S), Expected = 1.80, Std = 0.3100, ChiSquare = 3.3454e-06 1.T107 C = 181.273(S), Expected = 174.60, Std = 1.8000, ChiSquare = 2.0955e-04 1.N111 H = 12.138(S), Expected = 8.37, Std = 0.6500, ChiSquare = 6.7543e-09