Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 175.024 CA :: 58.653 CB :: 63.891 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> HA :: 4.510 HB2 :: 3.910 HB3 :: 3.910 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) 1.G7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 L 0.08 C 0.08 R 0.02 C Shift Assignments>> C :: 174.225 CA :: 45.468 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.436 HA2 :: 4.020 HA3 :: 4.020 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.797 Ave N Shift Values>> N :: 109.91(4.29) 1.T8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 C Shift Assignments>> C :: 174.121 CA :: 61.611 CB :: 69.961 CG2 :: 21.644 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 :: 8.040 HA :: 4.332 HB :: 4.192 HG21 :: 1.153 HG22 :: 1.153 HG23 :: 1.153 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 113.123 Ave N Shift Values>> N :: 115.7(5.05) 1.D9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 N 0.19 L 0.16 C 0.11 K 0.06 F 0.04 Y 0.04 R 0.02 HN Overlap>> 1.Q82 1.Q82 C Shift Assignments>> C :: 175.397 CA :: 52.373 CB :: 41.183 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 :: 8.383 HA :: 4.893 HB2 :: 2.536 HB3 :: 2.735 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 :: 124.292 Ave N Shift Values>> N :: 120.73(4.2) 1.P10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.85 C 0.14 C Shift Assignments>> C :: 177.674 CA :: 63.816 CB :: 32.150 CG :: 27.265 CD :: 50.798 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 :: 4.403 HB2 :: 1.956 HB3 :: 2.271 HG2 :: 2.010 HG3 :: 2.010 HD2 :: 3.779 HD3 :: 3.857 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.G11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.76 L 0.09 C 0.08 R 0.03 C Shift Assignments>> C :: 174.137 CA :: 45.267 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.546 HA2 :: 3.870 HA3 :: 3.964 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.982 Ave N Shift Values>> N :: 109.91(4.29) 1.A12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.75 M 0.2 C 0.02 L 0.01 C Shift Assignments>> C :: 177.727 CA :: 52.558 CB :: 19.502 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.975 HA :: 4.293 HB1 :: 1.379 HB2 :: 1.379 HB3 :: 1.379 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.636 Ave N Shift Values>> N :: 123.23(3.7) 1.E13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.35 M 0.11 K 0.06 I 0.04 Q 0.03 C Shift Assignments>> C :: 176.305 CA :: 56.522 CB :: 30.502 CG :: 36.403 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 :: 8.326 HA :: 4.222 HB2 :: 1.903 HB3 :: 2.014 HG2 :: 2.208 HG3 :: 2.266 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 :: 119.600 Ave N Shift Values>> N :: 120.68(3.68) 1.E14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.35 M 0.12 K 0.06 Q 0.03 I 0.03 C Shift Assignments>> C :: 176.103 CA :: 56.257 CB :: 30.525 CG :: 36.365 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 :: 8.321 HA :: 4.276 HB2 :: 1.902 HB3 :: 2.014 HG2 :: 2.210 HG3 :: 2.274 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 :: 122.145 Ave N Shift Values>> N :: 120.68(3.68) 1.L15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.65 C 0.21 R 0.05 A 0.04 G 0.02 C Shift Assignments>> C :: 174.743 CA :: 52.903 CB :: 42.180 CG :: 27.144 CD1 :: 23.399 CD2 :: 25.418 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 :: 8.324 HA :: 4.673 HB2 :: 1.602 HB3 :: 1.666 HG :: 1.705 HD11 :: 0.924 HD12 :: 0.924 HD13 :: 0.924 HD21 :: 0.922 HD22 :: 0.922 HD23 :: 0.922 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 :: 125.221 Ave N Shift Values>> N :: 121.98(4.07) 1.P16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.77 C 0.22 C Shift Assignments>> C :: 176.217 CA :: 62.763 CB :: 32.132 CG :: 27.400 CD :: 50.583 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 :: 4.495 HB2 :: 1.927 HB3 :: 2.295 HG2 :: 2.054 HG3 :: 2.086 HD2 :: 3.698 HD3 :: 3.877 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.A17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.79 M 0.14 C 0.03 L 0.01 C Shift Assignments>> C :: 178.052 CA :: 51.812 CB :: 20.028 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.387 HA :: 4.417 HB1 :: 1.141 HB2 :: 1.141 HB3 :: 1.141 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.682 Ave N Shift Values>> N :: 123.23(3.7) 1.R18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.5 C 0.46 R 0.02 C Shift Assignments>> C :: 175.059 CA :: 55.182 CB :: 35.076 CG :: 26.412 CD :: 45.095 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 :: 9.007 HA :: 4.503 HB2 :: 1.989 HB3 :: 1.554 HG2 :: 1.664 HG3 :: 1.876 HD2 :: 3.149 HD3 :: 3.371 HE :: 7.502 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 :: 122.208 NE :: 84.503 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.I19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 I 0.47 C Shift Assignments>> C :: 174.041 CA :: 60.086 CB :: 37.151 CG1 :: 26.667 CG2 :: 18.527 CD1 :: 10.663 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 :: 8.770 HA :: 4.564 HB :: 1.872 HG12 :: 1.301 HG13 :: 1.408 HG21 :: 0.809 HG22 :: 0.809 HG23 :: 0.809 HD11 :: 0.678 HD12 :: 0.678 HD13 :: 0.678 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 :: 122.139 Ave N Shift Values>> N :: 121.6(4.72) 1.F20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.57 C 0.29 G 0.13 C Shift Assignments>> C :: 173.593 CA :: 55.430 CB :: 43.292 CD1 :: 130.755 CD2 :: 130.755 CE1 :: 130.475 CE2 :: 130.475 CZ :: 129.395 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 :: 9.148 HA :: 5.089 HB2 :: 2.339 HB3 :: 2.653 HD1 :: 6.619 HD2 :: 6.619 HE1 :: 6.852 HE2 :: 6.852 HZ :: 6.774 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 :: 127.177 Ave N Shift Values>> N :: 120.69(4.18) 1.V21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.73 V 0.22 A 0.02 I 0.01 C Shift Assignments>> C :: 174.795 CA :: 58.372 CB :: 35.276 CG1 :: 19.647 CG2 :: 21.669 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 :: 9.166 HA :: 5.069 HB :: 1.724 HG11 :: 0.782 HG12 :: 0.782 HG13 :: 0.782 HG21 :: 0.831 HG22 :: 0.831 HG23 :: 0.831 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 117.360 Ave N Shift Values>> N :: 121.02(4.96) 1.A22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.54 M 0.19 L 0.16 C 0.08 C Shift Assignments>> C :: 179.657 CA :: 52.425 CB :: 21.412 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.444 HA :: 4.470 HB1 :: 1.585 HB2 :: 1.585 HB3 :: 1.585 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 127.067 Ave N Shift Values>> N :: 123.23(3.7) 1.L23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.32 C 0.3 G 0.17 R 0.1 A 0.09 C Shift Assignments>> C :: 175.137 CA :: 55.571 CB :: 43.781 CG :: 26.955 CD1 :: 21.755 CD2 :: 25.467 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.258 HA :: 4.050 HB2 :: 0.791 HB3 :: 1.280 HG :: 1.317 HD11 :: 0.686 HD12 :: 0.686 HD13 :: 0.686 HD21 :: 0.743 HD22 :: 0.743 HD23 :: 0.743 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 :: 125.804 Ave N Shift Values>> N :: 121.98(4.07) 1.F24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.64 C 0.23 F 0.12 C Shift Assignments>> C :: 173.506 CA :: 54.805 CB :: 44.639 CD1 :: 133.066 CD2 :: 133.066 CE1 :: 131.030 CE2 :: 131.030 CZ :: 129.769 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 :: 7.272 HA :: 4.870 HB2 :: 2.691 HB3 :: 3.527 HD1 :: 7.351 HD2 :: 7.351 HE1 :: 7.379 HE2 :: 7.379 HZ :: 7.318 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 :: 111.846 Ave N Shift Values>> N :: 120.69(4.18) 1.D25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.25 L 0.2 K 0.14 C 0.1 F 0.09 Y 0.07 N 0.07 R 0.04 C Shift Assignments>> C :: 175.682 CA :: 54.650 CB :: 41.288 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 :: 8.498 HA :: 4.803 HB2 :: 2.653 HB3 :: 2.714 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 :: 117.731 Ave N Shift Values>> N :: 120.73(4.2) 1.Y26 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Y 0.59 C 0.37 G 0.03 C Shift Assignments>> C :: 173.628 CA :: 57.156 CB :: 42.396 CD1 :: 133.135 CD2 :: 133.135 CE1 :: 118.025 CE2 :: 118.025 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 :: 8.781 HA :: 4.739 HB2 :: 1.132(S) HB3 :: 2.236 HD1 :: 7.019 HD2 :: 7.019 HE1 :: 6.795 HE2 :: 6.795 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 :: 121.427 Ave N Shift Values>> N :: 120.79(4.69) 1.D27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.45 C 0.16 D 0.14 L 0.1 N 0.04 R 0.04 K 0.01 F 0.01 C Shift Assignments>> C :: 173.181 CA :: 49.364 CB :: 42.785 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.292 HA :: 4.886 HB2 :: 2.373 HB3 :: 2.554 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 :: 127.546 Ave N Shift Values>> N :: 120.73(4.2) 1.P28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.87 C 0.12 C Shift Assignments>> C :: 177.358 CA :: 64.272 CB :: 32.824 CG :: 26.727 CD :: 49.929 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 :: 3.527 HB2 :: 1.716 HB3 :: 2.497 HG2 :: 1.749 HG3 :: 1.798 HD2 :: 3.684 HD3 :: 3.160 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.L29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 C 0.42 R 0.04 C Shift Assignments>> C :: 178.569 CA :: 57.524 CB :: 41.022 CG :: 27.525 CD1 :: 23.242 CD2 :: 24.794 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 :: 7.700 HA :: 3.917 HB2 :: 1.518 HB3 :: 1.864 HG :: 1.605 HD11 :: 0.822 HD12 :: 0.822 HD13 :: 0.822 HD21 :: 0.924 HD22 :: 0.924 HD23 :: 0.924 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 :: 113.326 Ave N Shift Values>> N :: 121.98(4.07) 1.T30 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 :: 176.621 CA :: 61.579 CB :: 70.447 CG2 :: 21.667 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 :: 6.953 HA :: 4.486 HB :: 4.186 HG21 :: 1.092 HG22 :: 1.092 HG23 :: 1.092 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 103.657 Ave N Shift Values>> N :: 115.7(5.05) 1.M31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 M 0.43 A 0.08 I 0.02 C Shift Assignments>> C :: 176.050 CA :: 56.462 CB :: 35.158 CG :: 32.150 CE :: 17.147 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 :: 7.906 HA :: 4.553 HB2 :: 1.467 HB3 :: 2.296 HG2 :: 2.509 HG3 :: 2.726 HE1 :: 2.194 HE2 :: 2.194 HE3 :: 2.194 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 :: 118.301 Ave N Shift Values>> N :: 120.1(3.88) 1.S32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.778 CA :: 56.303 CB :: 64.608 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.718 HA :: 5.121 HB2 :: 3.619 HB3 :: 4.321 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 :: 114.973 Ave N Shift Values>> N :: 116.3(3.95) 1.P33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.81 C 0.18 C Shift Assignments>> C :: 176.270 CA :: 63.445 CB :: 32.115 CG :: 26.627 CD :: 51.264 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 :: 4.602 HB2 :: 2.064 HB3 :: 2.291 HG2 :: 1.987 HG3 :: 2.087 HD2 :: 3.962 HD3 :: 4.197 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.N34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.55 D 0.18 C 0.17 Y 0.03 F 0.02 L 0.02 C Shift Assignments>> C :: 173.426 CA :: 50.518 CB :: 39.092 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 :: 8.605 HA :: 5.085 HB2 :: 2.724 HB3 :: 2.913 HD21 :: 7.054 HD22 :: 7.859 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 :: 118.655 ND2 :: 113.177 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.P35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.86 C 0.13 C Shift Assignments>> C :: 177.744 CA :: 64.865 CB :: 32.005 CG :: 27.304 CD :: 50.775 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 :: 4.262 HB2 :: 1.974 HB3 :: 2.364 HG2 :: 2.008 HG3 :: 2.008 HD2 :: 3.691 HD3 :: 3.834 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.D36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.23 L 0.15 F 0.14 C 0.13 Y 0.12 N 0.09 K 0.08 I 0.01 R 0.01 C Shift Assignments>> C :: 176.454 CA :: 55.355 CB :: 40.485 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 :: 8.143 HA :: 4.601 HB2 :: 2.560 HB3 :: 2.752 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 :: 116.793 Ave N Shift Values>> N :: 120.73(4.2) 1.A37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.71 M 0.22 C 0.03 L 0.01 C Shift Assignments>> C :: 178.095 CA :: 52.898 CB :: 19.696 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.671 HA :: 4.405 HB1 :: 1.353 HB2 :: 1.353 HB3 :: 1.353 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.860 Ave N Shift Values>> N :: 123.23(3.7) 1.A38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.51 M 0.41 C 0.03 I 0.01 C Shift Assignments>> C :: 179.245 CA :: 54.417 CB :: 19.074 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.881 HA :: 4.124 HB1 :: 1.353 HB2 :: 1.353 HB3 :: 1.353 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.858 Ave N Shift Values>> N :: 123.23(3.7) 1.E39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.35 I 0.14 K 0.06 M 0.04 Q 0.02 C Shift Assignments>> C :: 177.236 CA :: 58.365 CB :: 29.838 CG :: 36.539 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 :: 8.222 HA :: 4.179 HB2 :: 2.019 HB3 :: 2.091 HG2 :: 2.263 HG3 :: 2.303 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 :: 116.319 Ave N Shift Values>> N :: 120.68(3.68) 1.E40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 E 0.36 M 0.16 I 0.03 K 0.02 Q 0.01 C Shift Assignments>> C :: 177.200 CA :: 56.564 CB :: 31.378 CG :: 36.587 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 :: 7.997 HA :: 4.423 HB2 :: 1.891 HB3 :: 2.146 HG2 :: 2.216 HG3 :: 2.295 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 :: 116.161 Ave N Shift Values>> N :: 120.68(3.68) 1.E41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 E 0.26 M 0.16 I 0.02 C Shift Assignments>> C :: 175.804 CA :: 56.055 CB :: 32.488 CG :: 37.243 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 :: 7.849 HA :: 4.840 HB2 :: 2.054 HB3 :: 2.412 HG2 :: 1.961 HG3 :: 2.171 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 :: 119.796 Ave N Shift Values>> N :: 120.68(3.68) 1.L42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.5 G 0.26 C 0.16 R 0.03 A 0.02 C Shift Assignments>> C :: 173.339 CA :: 51.730 CB :: 43.605 CG :: 26.780 CD1 :: 23.787 CD2 :: 25.841 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 :: 8.412 HA :: 4.840 HB2 :: 1.565 HB3 :: 1.647 HG :: 1.559 HD11 :: 0.785 HD12 :: 0.785 HD13 :: 0.785 HD21 :: 0.882 HD22 :: 0.882 HD23 :: 0.882 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 :: 122.488 Ave N Shift Values>> N :: 121.98(4.07) 1.P43 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 :: 177.235 CA :: 61.031 CB :: 32.755 CG :: 26.905 CD :: 50.002 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 :: 4.734 HB2 :: 2.029 HB3 :: 2.267 HG2 :: 2.053 HG3 :: 2.129 HD2 :: 3.721 HD3 :: 3.950 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.F44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 F 0.39 C Shift Assignments>> C :: 174.084 CA :: 56.524 CB :: 39.973 CD1 :: 133.595 CD2 :: 133.595 CE1 :: 131.304 CE2 :: 131.304 CZ :: 128.613 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 :: 8.054 HA :: 4.863 HB2 :: 2.839 HB3 :: 3.423 HD1 :: 6.978 HD2 :: 6.978 HE1 :: 7.379 HE2 :: 7.379 HZ :: 6.786 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 :: 111.825 Ave N Shift Values>> N :: 120.69(4.18) 1.K45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 K 0.4 R 0.11 G 0.02 C Shift Assignments>> C :: 175.577 CA :: 53.210 CB :: 35.522 CG :: 24.549 CD :: 28.522 CE :: 42.234 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 :: 8.229 HA :: 5.072 HB2 :: 1.734 HB3 :: 1.947 HG2 :: 1.495 HG3 :: 1.495 HD2 :: 1.644 HD3 :: 1.699 HE2 :: 2.990 HE3 :: 3.032 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 118.622 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 E 0.29 K 0.13 Q 0.12 I 0.07 M 0.05 C Shift Assignments>> C :: 177.112 CA :: 58.639 CB :: 29.662 CG :: 35.319 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 :: 9.204 HA :: 3.275 HB2 :: 1.829 HB3 :: 1.882 HG2 :: 1.946 HG3 :: 2.077 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 :: 121.087 Ave N Shift Values>> N :: 120.68(3.68) 1.G47 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 :: 173.637 CA :: 45.093 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.780 HA2 :: 3.482 HA3 :: 4.319 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 114.436 Ave N Shift Values>> N :: 109.91(4.29) 1.Q48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 Q 0.22 E 0.18 M 0.16 K 0.14 R 0.01 I 0.01 C Shift Assignments>> C :: 174.787 CA :: 57.238 CB :: 30.464 CG :: 34.263 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 :: 8.298 HA :: 4.139 HB2 :: 1.999 HB3 :: 2.544 HG2 :: 2.419 HG3 :: 2.532 HE21 :: 7.386 HE22 :: 8.134 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 :: 122.809 NE2 :: 115.035 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.I49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 I 0.45 C Shift Assignments>> C :: 176.397 CA :: 59.771 CB :: 36.729 CG1 :: 27.346 CG2 :: 17.712 CD1 :: 10.498 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 :: 8.332 HA :: 4.709 HB :: 1.927 HG12 :: 1.467 HG13 :: 1.530 HG21 :: 0.883 HG22 :: 0.883 HG23 :: 0.883 HD11 :: 0.742 HD12 :: 0.742 HD13 :: 0.742 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 :: 124.015 Ave N Shift Values>> N :: 121.6(4.72) 1.I50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.56 C 0.4 G 0.02 C Shift Assignments>> C :: 174.233 CA :: 60.004 CB :: 42.149 CG1 :: 27.490 CG2 :: 17.895 CD1 :: 13.693 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 :: 9.337 HA :: 4.232 HB :: 1.179 HG12 :: 0.641 HG13 :: 1.138 HG21 :: 0.490 HG22 :: 0.490 HG23 :: 0.490 HD11 :: 0.020 HD12 :: 0.020 HD13 :: 0.020 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 :: 131.706 Ave N Shift Values>> N :: 121.6(4.72) 1.K51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.38 C 0.34 R 0.23 M 0.02 C Shift Assignments>> C :: 174.647 CA :: 55.547 CB :: 33.903 CG :: 25.498 CD :: 29.645 CE :: 41.993 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 :: 8.346 HA :: 4.837 HB2 :: 1.386 HB3 :: 1.720 HG2 :: 1.072 HG3 :: 1.442 HD2 :: 1.579 HD3 :: 1.579 HE2 :: 2.845 HE3 :: 2.845 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 126.452 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.V52 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.56 C 0.42 C Shift Assignments>> C :: 174.418 CA :: 61.252 CB :: 35.101 CG1 :: 21.434 CG2 :: 20.230 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.940 HA :: 4.298 HB :: 1.294 HG11 :: -0.247(S) HG12 :: -0.247(S) HG13 :: -0.247(S) HG21 :: 0.251 HG22 :: 0.251 HG23 :: 0.251 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 :: 124.259 Ave N Shift Values>> N :: 121.02(4.96) 1.Y53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.59 C 0.4 C Shift Assignments>> C :: 176.524 CA :: 56.143 CB :: 39.734 CD1 :: 133.186 CD2 :: 133.186 CE1 :: 117.617 CE2 :: 117.617 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 :: 8.318 HA :: 4.926 HB2 :: 2.619 HB3 :: 2.952 HD1 :: 6.958 HD2 :: 6.958 HE1 :: 6.715 HE2 :: 6.715 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 :: 125.595 Ave N Shift Values>> N :: 120.79(4.69) 1.G54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 L 0.08 C 0.08 R 0.02 C Shift Assignments>> C :: 172.250 CA :: 45.438 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.167 HA2 :: 3.811 HA3 :: 4.209 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 114.262 Ave N Shift Values>> N :: 109.91(4.29) 1.D55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.45 L 0.21 C 0.11 R 0.1 D 0.07 F 0.01 C Shift Assignments>> C :: 176.560 CA :: 52.209 CB :: 44.135 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 :: 8.582 HA :: 5.007 HB2 :: 2.576 HB3 :: 2.898 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 :: 120.868 Ave N Shift Values>> N :: 120.73(4.2) 1.K56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 K 0.35 M 0.12 R 0.09 C Shift Assignments>> C :: 176.024 CA :: 56.011 CB :: 33.043 CG :: 23.427 CD :: 30.151 CE :: 42.023 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 :: 8.758 HA :: 4.066 HB2 :: 1.097 HB3 :: 1.259 HG2 :: 1.143 HG3 :: 1.240 HD2 :: 1.460 HD3 :: 1.546 HE2 :: 2.960 HE3 :: 2.960 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 :: 121.213 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.D57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.21 N 0.11 C 0.11 K 0.09 R 0.05 F 0.04 Y 0.03 C Shift Assignments>> C :: 177.965 CA :: 52.422 CB :: 41.796 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 :: 8.613 HA :: 4.686 HB2 :: 2.828 HB3 :: 3.281 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 :: 123.210 Ave N Shift Values>> N :: 120.73(4.2) 1.A58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.55 M 0.38 C 0.03 I 0.01 C Shift Assignments>> C :: 178.341 CA :: 54.173 CB :: 18.834 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.372 HA :: 4.106 HB1 :: 1.423 HB2 :: 1.423 HB3 :: 1.423 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.066 Ave N Shift Values>> N :: 123.23(3.7) 1.D59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.25 D 0.21 K 0.15 R 0.11 C 0.1 F 0.06 Y 0.04 N 0.04 C Shift Assignments>> C :: 175.612 CA :: 54.299 CB :: 42.116 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 :: 8.259 HA :: 4.737 HB2 :: 2.843 HB3 :: 2.996 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 :: 116.765 Ave N Shift Values>> N :: 120.73(4.2) 1.G60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.09 L 0.07 R 0.01 C Shift Assignments>> C :: 173.433 CA :: 45.796 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.950 HA2 :: 3.353 HA3 :: 3.984 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.747 Ave N Shift Values>> N :: 109.91(4.29) 1.F61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.6 C 0.38 C Shift Assignments>> C :: 177.007 CA :: 57.524 CB :: 41.638 CD1 :: 131.913 CD2 :: 131.913 CE1 :: 131.402 CE2 :: 131.402 CZ :: 130.809 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 :: 5.080 HB2 :: 2.771 HB3 :: 3.246 HD1 :: 6.974 HD2 :: 6.974 HE1 :: 7.217 HE2 :: 7.217 HZ :: 7.213 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 :: 120.356 Ave N Shift Values>> N :: 120.69(4.18) 1.Y62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.62 C 0.36 HN Overlap>> 1.I73 1.I73 C Shift Assignments>> C :: 175.656 CA :: 56.568 CB :: 41.742 CD1 :: 132.177 CD2 :: 132.177 CE1 :: 117.942 CE2 :: 117.942 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 :: 9.218 HA :: 4.723 HB2 :: 2.191 HB3 :: 2.904 HD1 :: 6.485 HD2 :: 6.485 HE1 :: 6.623 HE2 :: 6.623 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 :: 119.258 Ave N Shift Values>> N :: 120.79(4.69) 1.R63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.34 K 0.14 G 0.06 C Shift Assignments>> C :: 175.278 CA :: 55.787 CB :: 30.412 CG :: 27.859 CD :: 43.314 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 :: 9.506 HA :: 4.823 HB2 :: 1.916 HB3 :: 2.021 HG2 :: 1.662 HG3 :: 1.737 HD2 :: 3.223 HD3 :: 3.223 HE :: 7.396 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 :: 122.654 NE :: 84.823 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.G64 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 :: 171.364 CA :: 46.133 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.854 HA2 :: 3.693 HA3 :: 4.926 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.225 Ave N Shift Values>> N :: 109.91(4.29) 1.E65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.85 M 0.1 E 0.03 C Shift Assignments>> C :: 176.033 CA :: 54.439 CB :: 35.068 CG :: 35.934 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 :: 9.169 HA :: 5.670 HB2 :: 2.016 HB3 :: 2.093 HG2 :: 2.063 HG3 :: 2.174 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 :: 118.452 Ave N Shift Values>> N :: 120.68(3.68) 1.T66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.93 C 0.06 C Shift Assignments>> C :: 173.497 CA :: 61.562 CB :: 70.056 CG2 :: 20.279 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 :: 8.630 HA :: 4.734 HB :: 4.454 HG21 :: 1.268 HG22 :: 1.268 HG23 :: 1.268 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 :: 118.031 Ave N Shift Values>> N :: 115.7(5.05) 1.C67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> I 0.41 C 0.16 R 0.13 P 0.11 K 0.06 L 0.03 Q 0.03 E 0.02 C Shift Assignments>> C :: 174.006 CA :: 60.679 CB :: 26.418 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> HA :: 4.144 HB2 :: 3.044 HB3 :: 3.160 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) 1.A68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.63 M 0.33 C 0.02 C Shift Assignments>> C :: 176.068 CA :: 53.406 CB :: 18.113 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.807 HA :: 4.068 HB1 :: 1.506 HB2 :: 1.506 HB3 :: 1.506 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 116.427 Ave N Shift Values>> N :: 123.23(3.7) 1.R69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 R 0.28 G 0.17 K 0.08 C Shift Assignments>> C :: 173.435 CA :: 55.435 CB :: 33.329 CG :: 27.021 CD :: 43.909 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 :: 7.803 HA :: 4.654 HB2 :: 1.811 HB3 :: 1.964 HG2 :: 1.615 HG3 :: 1.754 HD2 :: 3.168 HD3 :: 3.301 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 :: 119.392 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.L70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.35 G 0.33 C 0.23 R 0.07 C Shift Assignments>> C :: 178.007 CA :: 53.951 CB :: 44.537 CG :: 28.183 CD1 :: 25.007 CD2 :: 25.007 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 :: 8.279 HA :: 5.387 HB2 :: 1.656 HB3 :: 1.656 HG :: 1.671 HD11 :: 0.874 HD12 :: 0.874 HD13 :: 0.874 HD21 :: 0.876 HD22 :: 0.876 HD23 :: 0.876 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 123.073 Ave N Shift Values>> N :: 121.98(4.07) 1.G71 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 :: 170.662 CA :: 46.144 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.947 HA2 :: 3.968 HA3 :: 4.264 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.554 Ave N Shift Values>> N :: 109.91(4.29) 1.L72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.39 G 0.23 C 0.23 A 0.07 R 0.05 C Shift Assignments>> C :: 177.639 CA :: 54.337 CB :: 44.111 CG :: 27.036 CD1 :: 22.528 CD2 :: 25.154 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 :: 8.436 HA :: 5.371 HB2 :: 1.160 HB3 :: 1.342 HG :: 1.501 HD11 :: 0.657 HD12 :: 0.657 HD13 :: 0.657 HD21 :: 0.390 HD22 :: 0.390 HD23 :: 0.390 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.630 Ave N Shift Values>> N :: 121.98(4.07) 1.I73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 A 0.21 I 0.14 G 0.05 HN Overlap>> 1.Y62 1.Y62 C Shift Assignments>> C :: 174.023 CA :: 56.807 CB :: 42.558 CG1 :: 27.216 CG2 :: 19.027 CD1 :: 14.781 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 :: 9.299 HA :: 5.077 HB :: 1.778 HG12 :: 1.195 HG13 :: 1.323 HG21 :: 0.723 HG22 :: 0.723 HG23 :: 0.723 HD11 :: 0.600 HD12 :: 0.600 HD13 :: 0.600 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 119.335 Ave N Shift Values>> N :: 121.6(4.72) 1.P74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.77 C 0.22 C Shift Assignments>> C :: 179.183 CA :: 63.135 CB :: 31.722 CG :: 27.810 CD :: 51.500 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 :: 4.059 HB2 :: 1.782 HB3 :: 2.000 HG2 :: 1.572 HG3 :: 1.572 HD2 :: 3.576 HD3 :: 4.052 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.C75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.38 C 0.16 R 0.12 P 0.09 K 0.07 Q 0.05 E 0.05 L 0.02 V 0.01 C Shift Assignments>> C :: 175.128 CA :: 60.615 CB :: 27.623 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.277 HA :: 4.000 HB2 :: 2.244 HB3 :: 2.544 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 :: 121.671 Ave N Shift Values>> N :: 119.95(4.79) 1.N76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.35 C 0.26 Y 0.09 E 0.09 F 0.05 D 0.05 M 0.04 K 0.01 C Shift Assignments>> C :: 175.928 CA :: 53.819 CB :: 37.193 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 :: 8.379 HA :: 4.797 HB2 :: 2.802 HB3 :: 2.957 HD21 :: 6.686 HD22 :: 7.497 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 :: 115.227 ND2 :: 111.865 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.M77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 M 0.34 A 0.27 C Shift Assignments>> C :: 174.567 CA :: 55.263 CB :: 34.605 CG :: 33.418 CE :: 19.225 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 :: 7.480 HA :: 4.952 HB2 :: 2.086 HB3 :: 2.655 HG2 :: 2.342 HG3 :: 2.342 HE1 :: 1.959 HE2 :: 1.959 HE3 :: 1.959 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 115.148 Ave N Shift Values>> N :: 120.1(3.88) 1.V78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.82 I 0.1 V 0.04 A 0.03 C Shift Assignments>> C :: 174.005 CA :: 58.557 CB :: 37.004 CG1 :: 19.022 CG2 :: 22.600 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 :: 7.308 HA :: 5.335 HB :: 2.014 HG11 :: 0.692 HG12 :: 0.692 HG13 :: 0.692 HG21 :: 0.342 HG22 :: 0.342 HG23 :: 0.342 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 :: 108.464 Ave N Shift Values>> N :: 121.02(4.96) 1.S79 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 :: 172.996 CA :: 56.720 CB :: 65.710 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.731 HA :: 4.824 HB2 :: 3.579 HB3 :: 3.642 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 :: 113.339 Ave N Shift Values>> N :: 116.3(3.95) 1.E80 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> E 0.34 C 0.33 K 0.11 I 0.07 Q 0.06 M 0.06 C Shift Assignments>> C :: 176.462 CA :: 57.407 CB :: 29.784 CG :: 36.021 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 :: 8.563 HA :: 3.107 HB2 :: 1.028(S) HB3 :: 1.430 HG2 :: 1.405(S) HG3 :: 1.830 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 :: 129.945 Ave N Shift Values>> N :: 120.68(3.68) 1.I81 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 :: 175.321 CA :: 60.953 CB :: 38.730 CG1 :: 27.168 CG2 :: 17.550 CD1 :: 13.119 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 :: 8.458 HA :: 4.114 HB :: 1.674 HG12 :: 0.907 HG13 :: 1.238 HG21 :: 0.753 HG22 :: 0.753 HG23 :: 0.753 HD11 :: 0.682 HD12 :: 0.682 HD13 :: 0.682 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 :: 125.885 Ave N Shift Values>> N :: 121.6(4.72) 1.Q82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.27 C 0.24 K 0.22 M 0.11 E 0.1 R 0.03 HN Overlap>> 1.D9 1.D9 C Shift Assignments>> C :: 175.421 CA :: 55.130 CB :: 29.723 CG :: 33.794 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 :: 8.385 HA :: 4.315 HB2 :: 1.882 HB3 :: 2.040 HG2 :: 2.264 HG3 :: 2.264 HE21 :: 6.747 HE22 :: 7.519 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 :: 124.282 NE2 :: 112.477 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.A83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.75 M 0.19 C 0.03 L 0.01 C Shift Assignments>> C :: 177.297 CA :: 52.482 CB :: 19.650 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.422 HA :: 4.259 HB1 :: 1.342 HB2 :: 1.342 HB3 :: 1.342 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.139 Ave N Shift Values>> N :: 123.23(3.7) 1.D84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.26 L 0.2 K 0.13 C 0.1 N 0.08 F 0.08 Y 0.06 R 0.04 C Shift Assignments>> C :: 176.050 CA :: 54.276 CB :: 41.315 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 :: 8.351 HA :: 4.569 HB2 :: 2.614 HB3 :: 2.673 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 :: 119.810 Ave N Shift Values>> N :: 120.73(4.2) 1.D85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.25 L 0.2 K 0.14 C 0.1 F 0.08 N 0.07 Y 0.07 R 0.04 C Shift Assignments>> C :: 176.560 CA :: 54.513 CB :: 41.305 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 :: 8.217 HA :: 4.556 HB2 :: 2.584 HB3 :: 2.674 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 :: 120.689 Ave N Shift Values>> N :: 120.73(4.2) 1.E86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.35 M 0.09 I 0.06 K 0.06 Q 0.03 HN Overlap>> 1.Q91 1.D90 1.E87 1.Q91 1.D90 1.E87 1.M89 1.M89 C Shift Assignments>> C :: 176.868 CA :: 57.227 CB :: 30.400 CG :: 36.400 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 :: 8.369 HA :: 4.177 HB2 :: 1.952 HB3 :: 2.034 HG2 :: 2.214 HG3 :: 2.269 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 :: 121.425 Ave N Shift Values>> N :: 120.68(3.68) 1.E87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.35 M 0.08 K 0.07 I 0.06 Q 0.03 HN Overlap>> 1.Q91 1.Q91 1.E86 1.E86 C Shift Assignments>> C :: 176.685 CA :: 57.019 CB :: 30.191 CG :: 36.417 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 :: 8.401 HA :: 4.209 HB2 :: 1.951 HB3 :: 2.025 HG2 :: 2.218 HG3 :: 2.267 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 :: 121.364 Ave N Shift Values>> N :: 120.68(3.68) 1.M88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.41 C 0.35 Q 0.14 K 0.04 E 0.03 C Shift Assignments>> C :: 176.419 CA :: 55.535 CB :: 32.735 CG :: 32.086 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 :: 8.275 HA :: 4.446 HB2 :: 2.024 HB3 :: 2.070 HG2 :: 2.520 HG3 :: 2.602 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 :: 120.887 Ave N Shift Values>> N :: 120.1(3.88) 1.M89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.39 C 0.34 Q 0.15 E 0.05 K 0.04 HN Overlap>> 1.D90 1.E86 1.D90 1.E86 C Shift Assignments>> C :: 176.024 CA :: 55.718 CB :: 33.060 CG :: 32.154 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.281 HA :: 4.440 HB2 :: 2.014 HB3 :: 2.070 HG2 :: 2.522 HG3 :: 2.604 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 :: 121.486 Ave N Shift Values>> N :: 120.1(3.88) 1.D90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.25 L 0.19 K 0.13 C 0.11 F 0.09 N 0.08 Y 0.07 R 0.03 HN Overlap>> 1.E86 1.M89 1.E86 1.M89 C Shift Assignments>> C :: 176.445 CA :: 54.579 CB :: 41.216 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 :: 8.372 HA :: 4.580 HB2 :: 2.642 HB3 :: 2.722 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 121.488 Ave N Shift Values>> N :: 120.73(4.2) 1.Q91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.26 C 0.24 K 0.24 E 0.12 M 0.07 R 0.04 HN Overlap>> 1.E87 1.E86 1.E87 1.E86 C Shift Assignments>> C :: 176.183 CA :: 55.829 CB :: 29.306 CG :: 33.883 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 :: 8.400 HA :: 4.392 HB2 :: 1.961 HB3 :: 2.207 HG2 :: 2.360 HG3 :: 2.360 HE21 :: 6.854 HE22 :: 7.532 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 :: 121.335 NE2 :: 112.745 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 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 :: 174.699 CA :: 58.851 CB :: 64.010 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.404 HA :: 4.445 HB2 :: 3.903 HB3 :: 3.903 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 :: 116.798 Ave N Shift Values>> N :: 116.3(3.95) 1.G93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.57 L 0.16 R 0.11 C 0.09 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 171.829 CA :: 44.756 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.235 HA2 :: 4.067 HA3 :: 4.168 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.635 Ave N Shift Values>> N :: 109.91(4.29) 1.P94 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S95 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S96 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G97 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable ########################################################################### Overall Results: #Consistent: 94 #Clerical: 0 #Suspicious: 3 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 88 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 9 Shift Relative Order (SRO) Results: #Consistent: 97 #Suspicious: 0 C Shift Results: #Consistent: 378 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 577 #Duplicate: 0 #Unknown: 0 #Suspicious: 6 #Anomalous: 0 N Shift Results: #Consistent: 86 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.Y26 HB2 = 1.132(S), Expected = 2.91, Std = 0.3700, ChiSquare = 1.5444e-06 1.V52 HG11 = -0.247(S), Expected = 0.84, Std = 0.2700, ChiSquare = 5.6752e-05 1.V52 HG12 = -0.247(S), Expected = 0.84, Std = 0.2700, ChiSquare = 5.6752e-05 1.V52 HG13 = -0.247(S), Expected = 0.84, Std = 0.2700, ChiSquare = 5.6752e-05 1.E80 HB2 = 1.028(S), Expected = 2.04, Std = 0.2200, ChiSquare = 4.2249e-06 1.E80 HG2 = 1.405(S), Expected = 2.31, Std = 0.2100, ChiSquare = 1.6361e-05