Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.H1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.M2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.D3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.A4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.L5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.E6 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G7 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.E8 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S9 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.F10 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.A11 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.L12 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S13 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.F14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> F 0.33 Y 0.33 I 0.13 L 0.06 D 0.06 K 0.03 E 0.01 N 0.01 C Shift Assignments>> CA :: 58.199 CB :: 39.717 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) 1.S15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 58.249 CB :: 63.936 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.299 HA :: 4.359 HB2 :: 3.793 HB3 :: 3.876 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 :: 117.379 Ave N Shift Values>> N :: 116.3(3.95) 1.S16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 58.224 CB :: 63.886 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.255 HA :: 3.729 HB2 :: 4.364 HB3 :: 4.364 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 :: 117.694 Ave N Shift Values>> N :: 116.3(3.95) 1.A17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.68 M 0.3 C Shift Assignments>> CA :: 53.377 CB :: 18.896 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.333 HA :: 4.252 HB1 :: 1.337 HB2 :: 1.337 HB3 :: 1.337 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.462 Ave N Shift Values>> N :: 123.23(3.7) 1.S18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 59.105 CB :: 63.592 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.219 HA :: 4.332 HB2 :: 3.796 HB3 :: 3.879 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 :: 114.821 Ave N Shift Values>> N :: 116.3(3.95) 1.D19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.26 L 0.2 K 0.14 F 0.14 Y 0.12 N 0.08 R 0.02 I 0.01 C Shift Assignments>> C :: 176.528 CA :: 55.272 CB :: 40.883 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 :: 8.309 HA :: 4.554 HB2 :: 2.635 HB3 :: 2.766 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 :: 123.367 Ave N Shift Values>> N :: 120.73(4.2) 1.A20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.53 M 0.43 I 0.01 C Shift Assignments>> C :: 179.857 CA :: 54.341 CB :: 18.660 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.133 HA :: 4.170 HB1 :: 1.395 HB2 :: 1.395 HB3 :: 1.395 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.350 Ave N Shift Values>> N :: 123.23(3.7) 1.E21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.56 I 0.24 K 0.09 M 0.05 Q 0.02 C Shift Assignments>> C :: 177.675 CA :: 58.520 CB :: 29.765 CG :: 36.645 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 :: 8.140 HA :: 4.128 HB2 :: 2.081 HB3 :: 2.081 HG2 :: 2.251 HG3 :: 2.306 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 :: 119.063 Ave N Shift Values>> N :: 120.68(3.68) 1.F22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.57 Y 0.42 HN Overlap>> 1.A93 1.A93 C Shift Assignments>> C :: 176.410 CA :: 62.202 CB :: 39.223 CD1 :: 132.202 CD2 :: 132.202 CE1 :: 130.817 CE2 :: 130.817 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 :: 8.009 HA :: 4.123 HB2 :: 2.965 HB3 :: 3.107 HD1 :: 7.076 HD2 :: 7.076 HE1 :: 6.795 HE2 :: 6.795 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 :: 121.211 Ave N Shift Values>> N :: 120.69(4.18) 1.D23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.27 Y 0.26 D 0.14 L 0.12 K 0.07 I 0.06 N 0.03 C Shift Assignments>> C :: 179.078 CA :: 57.048 CB :: 40.154 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 :: 8.261 HA :: 4.041 HB2 :: 2.531 HB3 :: 2.567 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 :: 116.876 Ave N Shift Values>> N :: 120.73(4.2) 1.A24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.49 A 0.47 I 0.02 C Shift Assignments>> C :: 179.577 CA :: 54.341 CB :: 17.762 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.651 HA :: 3.785 HB1 :: 1.302 HB2 :: 1.302 HB3 :: 1.302 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.873 Ave N Shift Values>> N :: 123.23(3.7) 1.V25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.T96 1.T96 C Shift Assignments>> C :: 177.805 CA :: 66.789 CB :: 31.277 CG1 :: 22.082 CG2 :: 23.009 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 :: 7.718 HA :: 3.216 HB :: 1.915 HG11 :: 0.101 HG12 :: 0.101 HG13 :: 0.101 HG21 :: 0.906 HG22 :: 0.906 HG23 :: 0.906 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 :: 117.890 Ave N Shift Values>> N :: 121.02(4.96) 1.V26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 177.788 CA :: 67.282 CB :: 31.266 CG1 :: 23.344 CG2 :: 21.717 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 :: 7.867 HA :: 3.274 HB :: 1.810 HG11 :: 0.581 HG12 :: 0.581 HG13 :: 0.581 HG21 :: 0.783 HG22 :: 0.783 HG23 :: 0.783 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 :: 118.170 Ave N Shift Values>> N :: 121.02(4.96) 1.G27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.91 L 0.04 A 0.01 C Shift Assignments>> C :: 176.717 CA :: 47.085 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.544 HA2 :: 3.592 HA3 :: 3.721 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.795 Ave N Shift Values>> N :: 109.91(4.29) 1.Y28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 178.991 CA :: 58.845 CB :: 37.602 CD1 :: 132.093 CD2 :: 132.093 CE1 :: 118.002 CE2 :: 118.002 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 7.625 HA :: 4.546 HB2 :: 2.745 HB3 :: 2.763 HD1 :: 6.894 HD2 :: 6.894 HE1 :: 6.640 HE2 :: 6.640 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 :: 119.933 Ave N Shift Values>> N :: 120.79(4.69) 1.L29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.76 R 0.19 K 0.02 G 0.01 C Shift Assignments>> CA :: 58.281 CB :: 41.948 CG :: 26.923 CD1 :: 24.882 CD2 :: 26.293 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 :: 8.517 HA :: 3.728 HB2 :: 1.322 HB3 :: 1.812 HG :: 1.507 HD11 :: 0.616 HD12 :: 0.616 HD13 :: 0.616 HD21 :: 0.619 HD22 :: 0.619 HD23 :: 0.619 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 :: 119.669 Ave N Shift Values>> N :: 121.98(4.07) 1.E30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 I 0.27 K 0.17 Q 0.1 M 0.02 R 0.01 C Shift Assignments>> C :: 177.731 CA :: 59.763 CB :: 28.844 CG :: 35.609 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 :: 8.072 HA :: 3.722 HB2 :: 1.966 HB3 :: 2.100 HG2 :: 2.192 HG3 :: 2.376 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 :: 117.666 Ave N Shift Values>> N :: 120.68(3.68) 1.D31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.23 Y 0.2 L 0.16 K 0.15 D 0.14 I 0.04 R 0.02 N 0.02 C Shift Assignments>> CA :: 56.953 CB :: 40.730 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.243 HA :: 4.297 HB2 :: 2.647 HB3 :: 2.824 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 :: 116.720 Ave N Shift Values>> N :: 120.73(4.2) 1.I32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.R136 1.A131 1.R136 1.A131 C Shift Assignments>> C :: 177.980 CA :: 64.692 CB :: 38.938 CG1 :: 28.995 CG2 :: 17.341 CD1 :: 15.105 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 :: 7.940 HA :: 3.640 HB :: 1.604 HG12 :: 0.819 HG13 :: 1.644 HG21 :: 0.576 HG22 :: 0.576 HG23 :: 0.576 HD11 :: 0.431 HD12 :: 0.431 HD13 :: 0.431 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 :: 119.728 Ave N Shift Values>> N :: 121.6(4.72) 1.I33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 176.723 CA :: 63.241 CB :: 37.580 CG1 :: 27.754 CG2 :: 17.166 CD1 :: 14.007 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 :: 7.984 HA :: 3.598 HB :: 1.696 HG12 :: 0.954 HG13 :: 1.200 HG21 :: 0.555 HG22 :: 0.555 HG23 :: 0.555 HD11 :: 0.564 HD12 :: 0.564 HD13 :: 0.564 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 :: 113.919 Ave N Shift Values>> N :: 121.6(4.72) 1.M34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.71 A 0.28 C Shift Assignments>> C :: 176.423 CA :: 54.634 CB :: 31.934 CG :: 32.551 CE :: 16.684 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 :: 7.288 HA :: 4.496 HB2 :: 2.080 HB3 :: 2.120 HG2 :: 2.568 HG3 :: 2.720 HE1 :: 2.011 HE2 :: 2.011 HE3 :: 2.011 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 :: 115.130 Ave N Shift Values>> N :: 120.1(3.88) 1.D35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.35 R 0.28 D 0.11 G 0.1 K 0.05 F 0.04 Y 0.03 C Shift Assignments>> C :: 177.139 CA :: 54.625 CB :: 43.554 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 :: 7.405 HA :: 4.484 HB2 :: 2.866 HB3 :: 3.048 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 :: 121.814 Ave N Shift Values>> N :: 120.73(4.2) 1.D36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.26 Y 0.21 K 0.18 L 0.13 D 0.08 I 0.06 R 0.03 N 0.01 C Shift Assignments>> C :: 178.320 CA :: 57.832 CB :: 40.914 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 :: 8.765 HA :: 4.235 HB2 :: 2.597 HB3 :: 2.597 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 125.883 Ave N Shift Values>> N :: 120.73(4.2) 1.E37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.46 I 0.41 K 0.07 M 0.02 Q 0.01 C Shift Assignments>> C :: 179.304 CA :: 59.828 CB :: 29.380 CG :: 36.610 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 :: 8.905 HA :: 3.933 HB2 :: 2.070 HB3 :: 2.071 HG2 :: 2.209 HG3 :: 2.287 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 :: 119.077 Ave N Shift Values>> N :: 120.68(3.68) 1.F38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> C :: 176.483 CA :: 61.411 CB :: 39.355 CD1 :: 132.329 CD2 :: 132.329 CE1 :: 130.681 CE2 :: 130.681 CZ :: 128.962 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 :: 7.460 HA :: 3.642 HB2 :: 3.113 HB3 :: 3.270 HD1 :: 7.075 HD2 :: 7.075 HE1 :: 7.087 HE2 :: 7.087 HZ :: 7.048 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 :: 119.968 Ave N Shift Values>> N :: 120.69(4.18) 1.Q39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.3 K 0.3 E 0.21 I 0.09 R 0.06 M 0.01 C Shift Assignments>> CA :: 59.153 CB :: 28.213 CG :: 34.361 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 :: 7.968 HA :: 3.712 HB2 :: 2.006 HB3 :: 2.077 HG2 :: 2.476 HG3 :: 2.587 HE21 :: 6.924 HE22 :: 7.708 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 :: 116.433 NE2 :: 112.645 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.L40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.92 R 0.05 G 0.01 HN Overlap>> 1.L73 1.K133 1.L73 1.K133 C Shift Assignments>> C :: 177.731 CA :: 57.915 CB :: 41.989 CG :: 26.807 CD1 :: 24.359 CD2 :: 24.339 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 :: 7.930 HA :: 3.916 HB2 :: 1.545 HB3 :: 1.545 HG :: 1.539 HD11 :: 0.797 HD12 :: 0.797 HD13 :: 0.797 HD21 :: 0.798 HD22 :: 0.798 HD23 :: 0.798 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 :: 119.505 Ave N Shift Values>> N :: 121.98(4.07) 1.L41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.87 R 0.09 G 0.02 C Shift Assignments>> C :: 179.738 CA :: 58.266 CB :: 42.050 CG :: 26.310 CD1 :: 25.891 CD2 :: 24.826 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 :: 7.174 HA :: 3.835 HB2 :: 1.369 HB3 :: 1.468 HG :: 1.343 HD11 :: 0.410 HD12 :: 0.410 HD13 :: 0.410 HD21 :: 0.618 HD22 :: 0.618 HD23 :: 0.618 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 :: 120.971 Ave N Shift Values>> N :: 121.98(4.07) 1.Q42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.31 Q 0.3 E 0.17 I 0.07 R 0.07 M 0.03 P 0.02 HN Overlap>> 1.L120 1.L120 C Shift Assignments>> C :: 177.642 CA :: 59.826 CB :: 28.762 CG :: 33.948 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 :: 8.058 HA :: 3.556 HB2 :: 1.340 HB3 :: 1.756 HG2 :: 1.879 HG3 :: 1.995 HE21 :: 6.602 HE22 :: 7.002 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 :: 117.899 NE2 :: 109.658 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.R43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.73 G 0.13 K 0.11 L 0.01 C Shift Assignments>> C :: 178.051 CA :: 59.766 CB :: 29.941 CG :: 27.540 CD :: 43.294 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 :: 8.179 HA :: 3.655 HB2 :: 1.800 HB3 :: 1.824 HG2 :: 1.552 HG3 :: 1.552 HD2 :: 3.137 HD3 :: 3.137 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.N44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.25 E 0.19 N 0.17 F 0.16 D 0.06 I 0.04 M 0.04 L 0.01 K 0.01 C Shift Assignments>> C :: 178.150 CA :: 55.841 CB :: 37.632 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 :: 8.525 HA :: 4.332 HB2 :: 2.644 HB3 :: 2.941 HD21 :: 6.642 HD22 :: 7.535 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 :: 116.214 ND2 :: 110.728 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.F45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.65 Y 0.34 C Shift Assignments>> C :: 176.691 CA :: 62.333 CB :: 39.449 CD1 :: 132.170 CD2 :: 132.170 CE1 :: 131.378 CE2 :: 131.378 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 :: 7.586 HA :: 4.132 HB2 :: 3.135 HB3 :: 3.260 HD1 :: 7.349 HD2 :: 7.349 HE1 :: 7.531 HE2 :: 7.531 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 :: 121.501 Ave N Shift Values>> N :: 120.69(4.18) 1.M46 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.95 A 0.04 C Shift Assignments>> C :: 179.754 CA :: 57.742 CB :: 29.912 CG :: 31.309 CE :: 16.197 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 :: 8.190 HA :: 4.060 HB2 :: 0.502(S) HB3 :: 1.365 HG2 :: 1.826 HG3 :: 2.139 HE1 :: 0.767 HE2 :: 0.767 HE3 :: 0.767 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 :: 116.727 Ave N Shift Values>> N :: 120.1(3.88) 1.D47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.24 Y 0.21 K 0.16 L 0.15 D 0.12 I 0.04 R 0.03 N 0.01 C Shift Assignments>> C :: 177.854 CA :: 57.277 CB :: 40.776 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 :: 8.579 HA :: 4.804 HB2 :: 2.612 HB3 :: 2.766 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 :: 117.798 Ave N Shift Values>> N :: 120.73(4.2) 1.K48 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.65 R 0.25 M 0.06 G 0.01 C Shift Assignments>> C :: 178.812 CA :: 58.953 CB :: 32.796 CG :: 24.561 CD :: 29.985 CE :: 42.068 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 :: 7.339 HA :: 3.828 HB2 :: 1.221 HB3 :: 1.454 HG2 :: 0.113(S) HG3 :: 0.901 HD2 :: 1.213 HD3 :: 1.338 HE2 :: 2.686 HE3 :: 2.686 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 :: 117.852 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Y49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.86 G 0.13 C Shift Assignments>> C :: 178.138 CA :: 58.620 CB :: 42.939 CD1 :: 133.453 CD2 :: 133.453 CE1 :: 117.803 CE2 :: 117.803 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 :: 6.841 HA :: 4.995 HB2 :: 2.358 HB3 :: 3.222 HD1 :: 6.570 HD2 :: 6.570 HE1 :: 6.692 HE2 :: 6.692 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 :: 112.109 Ave N Shift Values>> N :: 120.79(4.69) 1.Y50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 176.015 CA :: 62.442 CB :: 36.588 CD1 :: 133.141 CD2 :: 133.141 CE1 :: 118.267 CE2 :: 118.267 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 :: 8.491 HA :: 4.598 HB2 :: 3.230 HB3 :: 3.744 HD1 :: 7.344 HD2 :: 7.344 HE1 :: 6.882 HE2 :: 6.882 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 :: 118.294 Ave N Shift Values>> N :: 120.79(4.69) 1.L51 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.95 A 0.03 C Shift Assignments>> C :: 178.625 CA :: 55.994 CB :: 40.743 CG :: 25.810 CD1 :: 23.232 CD2 :: 25.132 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 :: 7.512 HA :: 3.878 HB2 :: 1.219 HB3 :: 1.354 HG :: 0.451(S) HD11 :: 0.613 HD12 :: 0.613 HD13 :: 0.613 HD21 :: 0.641 HD22 :: 0.641 HD23 :: 0.641 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 :: 118.478 Ave N Shift Values>> N :: 121.98(4.07) 1.E52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.3 E 0.29 K 0.28 M 0.07 R 0.02 I 0.02 C Shift Assignments>> C :: 177.629 CA :: 56.141 CB :: 29.162 CG :: 34.842 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 :: 8.042 HA :: 4.197 HB2 :: 1.659 HB3 :: 1.859 HG2 :: 2.250 HG3 :: 2.272 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 115.067 Ave N Shift Values>> N :: 120.68(3.68) 1.F53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> C :: 174.325 CA :: 58.986 CB :: 40.183 CD1 :: 131.367 CD2 :: 131.367 CE1 :: 129.572 CE2 :: 129.572 CZ :: 128.692 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 :: 7.465 HA :: 4.431 HB2 :: 2.390 HB3 :: 3.003 HD1 :: 6.552 HD2 :: 6.552 HE1 :: 5.971 HE2 :: 5.971 HZ :: 6.446 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 116.768 Ave N Shift Values>> N :: 120.69(4.18) 1.E54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.66 E 0.31 C Shift Assignments>> C :: 175.722 CA :: 54.248 CB :: 34.409 CG :: 36.704 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 :: 7.484 HA :: 4.583 HB2 :: 1.673 HB3 :: 2.035 HG2 :: 2.057 HG3 :: 2.059 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 :: 118.844 Ave N Shift Values>> N :: 120.68(3.68) 1.D55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.54 D 0.23 Y 0.08 F 0.07 L 0.04 E 0.01 C Shift Assignments>> C :: 175.421 CA :: 52.888 CB :: 38.894 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 :: 9.008 HA :: 4.735 HB2 :: 2.433 HB3 :: 2.837 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 :: 123.654 Ave N Shift Values>> N :: 120.73(4.2) 1.T56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 A 0.01 C Shift Assignments>> C :: 174.096 CA :: 59.172 CB :: 71.889 CG2 :: 21.728 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 :: 7.819 HA :: 4.574 HB :: 4.436 HG21 :: 1.091 HG22 :: 1.091 HG23 :: 1.091 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 :: 112.015 Ave N Shift Values>> N :: 115.7(5.05) 1.E57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.56 K 0.15 I 0.1 M 0.09 Q 0.07 HN Overlap>> 1.D108 1.D108 C Shift Assignments>> C :: 177.042 CA :: 56.869 CB :: 29.731 CG :: 36.328 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 :: 8.527 HA :: 4.217 HB2 :: 1.875 HB3 :: 2.079 HG2 :: 2.213 HG3 :: 2.230 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 :: 117.531 Ave N Shift Values>> N :: 120.68(3.68) 1.E58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.44 M 0.17 Q 0.16 K 0.16 I 0.04 C Shift Assignments>> C :: 176.849 CA :: 56.924 CB :: 30.251 CG :: 35.566 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 :: 7.587 HA :: 3.941 HB2 :: 1.765 HB3 :: 1.827 HG2 :: 1.828 HG3 :: 2.136 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 :: 119.183 Ave N Shift Values>> N :: 120.68(3.68) 1.N59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.72 D 0.08 Y 0.06 F 0.03 E 0.03 M 0.03 C Shift Assignments>> C :: 174.254 CA :: 51.956 CB :: 37.404 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 :: 9.120 HA :: 4.922 HB2 :: 2.648 HB3 :: 2.734 HD21 :: 6.713 HD22 :: 7.458 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 :: 126.767 ND2 :: 111.819 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.K60 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> K 0.59 R 0.35 M 0.03 G 0.01 C Shift Assignments>> C :: 177.908 CA :: 56.623 CB :: 32.279 CG :: 25.559 CD :: 29.147 CE :: 42.045 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 :: 5.892(S) HA :: 3.798 HB2 :: -0.212(A) HB3 :: 1.312 HG2 :: 0.878 HG3 :: 0.981 HD2 :: 1.452 HD3 :: 1.452 HE2 :: 2.730 HE3 :: 2.730 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 :: 121.527 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.93 R 0.05 C Shift Assignments>> C :: 179.843 CA :: 58.301 CB :: 41.305 CG :: 26.975 CD1 :: 23.464 CD2 :: 24.808 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 :: 8.473 HA :: 3.891 HB2 :: 1.420 HB3 :: 1.574 HG :: 1.626 HD11 :: 0.804 HD12 :: 0.804 HD13 :: 0.804 HD21 :: 0.831 HD22 :: 0.831 HD23 :: 0.831 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 :: 125.639 Ave N Shift Values>> N :: 121.98(4.07) 1.I62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 175.392 CA :: 61.743 CB :: 39.108 CG1 :: 28.265 CG2 :: 17.410 CD1 :: 14.021 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 :: 7.698 HA :: 3.952 HB :: 1.725 HG12 :: 1.248 HG13 :: 1.391 HG21 :: 0.601 HG22 :: 0.601 HG23 :: 0.601 HD11 :: 0.776 HD12 :: 0.776 HD13 :: 0.776 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 :: 114.111 Ave N Shift Values>> N :: 121.6(4.72) 1.Y63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.93 H 0.06 C Shift Assignments>> C :: 178.264 CA :: 57.231 CB :: 36.332 CD1 :: 131.168 CD2 :: 131.168 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 :: 7.273 HA :: 4.343 HB2 :: 3.346 HB3 :: 3.346 HD1 :: 6.697 HD2 :: 6.697 HE1 :: 6.709 HE2 :: 6.709 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 117.689 Ave N Shift Values>> N :: 120.79(4.69) 1.T64 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> 1.S72 1.S72 C Shift Assignments>> CA :: 69.362(A) CB :: 66.962 CG2 :: 21.686 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 :: 7.747 HA :: 4.266 HB :: 4.443 HG21 :: 1.200 HG22 :: 1.200 HG23 :: 1.200 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 :: 113.755 Ave N Shift Values>> N :: 115.7(5.05) 1.P65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 179.913 CA :: 66.011 CB :: 30.642 CG :: 27.755 CD :: 49.466 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 :: 4.372 HB2 :: 1.918 HB3 :: 2.252 HG2 :: 1.962 HG3 :: 2.227 HD2 :: 3.376 HD3 :: 4.218 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.I66 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 177.543 CA :: 66.647 CB :: 38.029 CG1 :: 28.184 CG2 :: 18.012 CD1 :: 15.589 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 :: 7.377 HA :: 3.530 HB :: 1.801 HG12 :: -0.305(S) HG13 :: 1.727 HG21 :: 0.844 HG22 :: 0.844 HG23 :: 0.844 HD11 :: 0.467 HD12 :: 0.467 HD13 :: 0.467 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 118.353 Ave N Shift Values>> N :: 121.6(4.72) 1.F67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> C :: 177.293 CA :: 59.570 CB :: 38.865 CD1 :: 131.205 CD2 :: 131.205 CE1 :: 131.324 CE2 :: 131.324 CZ :: 129.574 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 :: 8.480 HA :: 4.115 HB2 :: 3.054 HB3 :: 3.296 HD1 :: 6.352 HD2 :: 6.352 HE1 :: 7.398 HE2 :: 7.398 HZ :: 6.874 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 122.420 Ave N Shift Values>> N :: 120.69(4.18) 1.N68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.27 E 0.19 F 0.17 N 0.15 D 0.06 I 0.05 M 0.04 L 0.01 K 0.01 C Shift Assignments>> C :: 178.697 CA :: 56.056 CB :: 37.704 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 :: 8.595 HA :: 4.211 HB2 :: 2.740 HB3 :: 2.782 HD21 :: 6.850 HD22 :: 7.446 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 :: 115.573 ND2 :: 110.868 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.E69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.51 I 0.36 K 0.05 M 0.03 Q 0.01 C Shift Assignments>> C :: 177.880 CA :: 59.399 CB :: 29.855 CG :: 36.910 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 :: 8.414 HA :: 4.102 HB2 :: 2.352 HB3 :: 2.513 HG2 :: 2.520 HG3 :: 2.520 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 123.510 Ave N Shift Values>> N :: 120.68(3.68) 1.Y70 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 178.143 CA :: 60.686 CB :: 38.560 CD1 :: 133.433 CD2 :: 133.433 CE1 :: 118.804 CE2 :: 118.804 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 :: 8.659 HA :: 3.362 HB2 :: 3.397 HB3 :: 3.397 HD1 :: 6.642 HD2 :: 6.642 HE1 :: 6.652 HE2 :: 6.652 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 :: 122.130 Ave N Shift Values>> N :: 120.79(4.69) SRO Rule Breaks>> (HA > HB2 : 0.9923) (HA > HB3 : 0.9965) 1.I71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 178.056 CA :: 63.756 CB :: 37.321 CG1 :: 28.164 CG2 :: 17.389 CD1 :: 11.457 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 :: 8.031 HA :: 3.265 HB :: 1.700 HG12 :: 1.004 HG13 :: 1.132 HG21 :: 0.654 HG22 :: 0.654 HG23 :: 0.654 HD11 :: 0.268 HD12 :: 0.268 HD13 :: 0.268 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 118.906 Ave N Shift Values>> N :: 121.6(4.72) 1.S72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.T64 1.T64 C Shift Assignments>> CA :: 61.380 CB :: 63.288 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.803 HA :: 4.029 HB2 :: 3.842 HB3 :: 3.896 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 :: 113.735 Ave N Shift Values>> N :: 116.3(3.95) 1.L73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 G 0.36 R 0.06 HN Overlap>> 1.L40 1.L40 C Shift Assignments>> C :: 177.767 CA :: 56.543 CB :: 44.517 CG :: 26.956 CD1 :: 25.142 CD2 :: 24.251 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 :: 7.952 HA :: 4.418 HB2 :: 1.546 HB3 :: 1.600 HG :: 1.422 HD11 :: 0.913 HD12 :: 0.913 HD13 :: 0.913 HD21 :: 0.971 HD22 :: 0.971 HD23 :: 0.971 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 :: 119.411 Ave N Shift Values>> N :: 121.98(4.07) 1.V74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 177.126 CA :: 66.250 CB :: 31.212 CG1 :: 21.587 CG2 :: 21.614 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 :: 8.021 HA :: 3.532 HB :: 1.511 HG11 :: 0.458 HG12 :: 0.458 HG13 :: 0.458 HG21 :: 0.770 HG22 :: 0.770 HG23 :: 0.770 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 :: 118.747 Ave N Shift Values>> N :: 121.02(4.96) 1.E75 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Q 0.22 K 0.19 P 0.18 I 0.16 R 0.12 E 0.08 C Shift Assignments>> C :: 178.804 CA :: 60.536 CB :: 27.009 CG :: 33.952 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 :: 7.232 HA :: 3.013 HB2 :: 0.718(S) HB3 :: 2.272 HG2 :: 1.673 HG3 :: 1.789 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 :: 118.660 Ave N Shift Values>> N :: 120.68(3.68) 1.K76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.55 R 0.4 M 0.02 G 0.01 C Shift Assignments>> C :: 177.765 CA :: 58.357 CB :: 31.939 CG :: 24.459 CD :: 28.345 CE :: 42.075 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 :: 7.051 HA :: 3.765 HB2 :: 1.587 HB3 :: 1.760 HG2 :: 1.401 HG3 :: 1.401 HD2 :: 1.611 HD3 :: 1.611 HE2 :: 2.888 HE3 :: 2.888 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 116.112 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Y77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 177.752 CA :: 61.820 CB :: 38.480 CD1 :: 133.532 CD2 :: 133.532 CE1 :: 117.602 CE2 :: 117.602 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 7.067 HA :: 4.036 HB2 :: 3.120 HB3 :: 3.120 HD1 :: 6.905 HD2 :: 6.905 HE1 :: 6.654 HE2 :: 6.654 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 :: 118.434 Ave N Shift Values>> N :: 120.79(4.69) 1.I78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 177.341 CA :: 65.177 CB :: 37.339 CG1 :: 29.079 CG2 :: 17.587 CD1 :: 13.216 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 :: 7.554 HA :: 3.159 HB :: 1.837 HG12 :: 0.829 HG13 :: 1.788 HG21 :: 0.543 HG22 :: 0.543 HG23 :: 0.543 HD11 :: 0.588 HD12 :: 0.588 HD13 :: 0.588 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 :: 117.672 Ave N Shift Values>> N :: 121.6(4.72) 1.E79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.56 E 0.36 K 0.04 M 0.01 C Shift Assignments>> C :: 177.742 CA :: 60.847 CB :: 29.594 CG :: 36.721 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 :: 8.296 HA :: 3.557 HB2 :: 2.016 HB3 :: 2.065 HG2 :: 2.165 HG3 :: 2.296 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 :: 118.701 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>> E 0.45 I 0.4 K 0.08 Q 0.02 M 0.01 C Shift Assignments>> C :: 179.926 CA :: 59.581 CB :: 29.062 CG :: 36.620 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 :: 8.330 HA :: 3.774 HB2 :: 1.804 HB3 :: 1.991 HG2 :: 2.053 HG3 :: 2.308 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 :: 116.767 Ave N Shift Values>> N :: 120.68(3.68) 1.Q81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.35 Q 0.31 R 0.19 E 0.06 M 0.04 I 0.01 C Shift Assignments>> C :: 179.681 CA :: 57.765 CB :: 28.079 CG :: 33.131 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 :: 7.634 HA :: 3.605 HB2 :: 1.691 HB3 :: 1.739 HG2 :: 1.710 HG3 :: 1.833 HE21 :: 6.635 HE22 :: 6.665 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 :: 116.325 NE2 :: 114.319 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.L82 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.95 R 0.03 C Shift Assignments>> C :: 178.945 CA :: 57.761 CB :: 40.961 CG :: 26.393 CD1 :: 25.742 CD2 :: 23.611 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 :: 8.156 HA :: 3.536 HB2 :: 0.222(S) HB3 :: 1.242 HG :: 1.132 HD11 :: -0.066 HD12 :: -0.066 HD13 :: -0.066 HD21 :: 0.203 HD22 :: 0.203 HD23 :: 0.203 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.546 Ave N Shift Values>> N :: 121.98(4.07) 1.L83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.7 R 0.25 G 0.01 K 0.01 C Shift Assignments>> C :: 178.631 CA :: 57.016 CB :: 42.182 CG :: 27.709 CD1 :: 25.650 CD2 :: 24.285 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 :: 8.326 HA :: 4.198 HB2 :: 1.382 HB3 :: 1.718 HG :: 1.716 HD11 :: 0.871 HD12 :: 0.871 HD13 :: 0.871 HD21 :: 0.985 HD22 :: 0.985 HD23 :: 0.985 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 :: 120.426 Ave N Shift Values>> N :: 121.98(4.07) 1.Q84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.34 K 0.33 E 0.15 R 0.09 M 0.05 I 0.02 C Shift Assignments>> C :: 177.008 CA :: 57.543 CB :: 28.688 CG :: 33.809 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 :: 6.992 HA :: 3.877 HB2 :: 1.844 HB3 :: 1.967 HG2 :: 2.236 HG3 :: 2.378 HE21 :: 6.585 HE22 :: 7.180 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 :: 114.001 NE2 :: 111.138 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.R85 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.59 K 0.36 G 0.04 C Shift Assignments>> C :: 175.999 CA :: 56.764 CB :: 32.044 CG :: 26.959 CD :: 42.752 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 :: 7.072 HA :: 4.047 HB2 :: 1.092 HB3 :: 1.132 HG2 :: 1.131 HG3 :: 1.131 HD2 :: 2.139(S) HD3 :: 2.423 HE :: 7.033 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 115.827 NE :: 125.043 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.I86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.92 A 0.07 C Shift Assignments>> CA :: 58.007 CB :: 39.604 CG1 :: 26.140 CG2 :: 18.037 CD1 :: 14.848 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 :: 8.238 HA :: 4.389 HB :: 1.750 HG12 :: 0.952 HG13 :: 1.199 HG21 :: 0.839 HG22 :: 0.839 HG23 :: 0.839 HD11 :: 0.749 HD12 :: 0.749 HD13 :: 0.749 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 :: 119.285 Ave N Shift Values>> N :: 121.6(4.72) 1.P87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.622 CA :: 64.665 CB :: 32.020 CG :: 27.358 CD :: 50.287 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 :: 4.392 HB2 :: 1.831 HB3 :: 2.270 HG2 :: 1.862 HG3 :: 1.973 HD2 :: 3.410 HD3 :: 3.676 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.E88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.54 K 0.21 I 0.1 Q 0.08 M 0.03 C Shift Assignments>> C :: 175.554 CA :: 56.045 CB :: 28.654 CG :: 36.316 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 :: 8.312 HA :: 4.208 HB2 :: 1.877 HB3 :: 2.100 HG2 :: 2.104 HG3 :: 2.104 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 114.256 Ave N Shift Values>> N :: 120.68(3.68) 1.F89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> C :: 173.460 CA :: 60.119 CB :: 39.994 CD1 :: 131.401 CD2 :: 131.401 CE1 :: 131.201 CE2 :: 131.201 CZ :: 129.642 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 :: 7.946 HA :: 3.993 HB2 :: 2.574 HB3 :: 3.182 HD1 :: 6.893 HD2 :: 6.893 HE1 :: 6.873 HE2 :: 6.873 HZ :: 6.861 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 :: 121.550 Ave N Shift Values>> N :: 120.69(4.18) 1.N90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.38 N 0.33 L 0.13 F 0.05 Y 0.04 K 0.03 C Shift Assignments>> C :: 173.921 CA :: 51.839 CB :: 40.674 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.266 HA :: 4.454 HB2 :: 2.463 HB3 :: 2.586 HD21 :: 6.828 HD22 :: 7.648 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 :: 125.344 ND2 :: 112.617 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.M91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.93 A 0.06 C Shift Assignments>> C :: 177.475 CA :: 57.758 CB :: 32.250 CG :: 32.416 CE :: 17.549 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 :: 8.968 HA :: 4.049 HB2 :: 1.872 HB3 :: 2.054 HG2 :: 2.544 HG3 :: 2.701 HE1 :: 2.022 HE2 :: 2.022 HE3 :: 2.022 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 :: 127.052 Ave N Shift Values>> N :: 120.1(3.88) 1.A92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.64 A 0.29 I 0.05 C Shift Assignments>> C :: 180.412 CA :: 55.368 CB :: 17.527 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.292 HA :: 4.059 HB1 :: 1.348 HB2 :: 1.348 HB3 :: 1.348 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.752 Ave N Shift Values>> N :: 123.23(3.7) 1.A93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.5 A 0.46 I 0.02 HN Overlap>> 1.F22 1.F22 C Shift Assignments>> C :: 180.482 CA :: 54.614 CB :: 18.098 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.931 HA :: 4.054 HB1 :: 1.332 HB2 :: 1.332 HB3 :: 1.332 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.158 Ave N Shift Values>> N :: 123.23(3.7) 1.F94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> C :: 177.350 CA :: 61.641 CB :: 40.014 CD1 :: 131.842 CD2 :: 131.842 CE1 :: 131.282 CE2 :: 131.282 CZ :: 128.989 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 :: 8.110 HA :: 4.304 HB2 :: 3.138 HB3 :: 3.257 HD1 :: 7.384 HD2 :: 7.384 HE1 :: 6.999 HE2 :: 6.999 HZ :: 6.701 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 :: 119.807 Ave N Shift Values>> N :: 120.69(4.18) 1.T95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 176.932 CA :: 66.833 CB :: 68.445 CG2 :: 22.052 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 :: 8.726 HA :: 3.569 HB :: 4.283 HG21 :: 1.278 HG22 :: 1.278 HG23 :: 1.278 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 :: 113.074 Ave N Shift Values>> N :: 115.7(5.05) 1.T96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> 1.V25 1.V25 C Shift Assignments>> C :: 176.386 CA :: 66.550 CB :: 68.583 CG2 :: 21.774 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 :: 7.657 HA :: 3.945 HB :: 4.218 HG21 :: 1.169 HG22 :: 1.169 HG23 :: 1.169 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 :: 117.927 Ave N Shift Values>> N :: 115.7(5.05) 1.T97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 176.572 CA :: 65.979 CB :: 68.553 CG2 :: 22.462 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 :: 7.699 HA :: 3.905 HB :: 4.164 HG21 :: 0.986 HG22 :: 0.986 HG23 :: 0.986 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 :: 118.518 Ave N Shift Values>> N :: 115.7(5.05) 1.L98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.62 R 0.3 K 0.03 G 0.03 C Shift Assignments>> C :: 178.490 CA :: 58.517 CB :: 41.697 CG :: 24.875 CD1 :: 26.389 CD2 :: 26.600 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 :: 8.304 HA :: 3.725 HB2 :: 1.168 HB3 :: 1.670 HG :: 0.851 HD11 :: 0.679 HD12 :: 0.679 HD13 :: 0.679 HD21 :: 1.497 HD22 :: 1.497 HD23 :: 1.497 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 :: 122.882 Ave N Shift Values>> N :: 121.98(4.07) 1.Q99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.33 Q 0.33 R 0.14 E 0.1 I 0.03 M 0.03 P 0.01 C Shift Assignments>> C :: 178.068 CA :: 58.735 CB :: 27.986 CG :: 33.559 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 :: 7.639 HA :: 3.927 HB2 :: 2.024 HB3 :: 2.024 HG2 :: 2.377 HG3 :: 2.377 HE21 :: 6.731 HE22 :: 7.321 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 :: 114.302 NE2 :: 110.984 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.H100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.99 C Shift Assignments>> C :: 174.789 CA :: 56.154 CB :: 28.946 CD2 :: 119.720 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 :: 7.575 HA :: 4.524 HB2 :: 2.988 HB3 :: 3.051 HD2 :: 7.033 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 :: 114.778 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.H101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.99 C Shift Assignments>> C :: 174.818 CA :: 54.830 CB :: 29.749 CD2 :: 120.211 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 :: 7.773 HA :: 4.704 HB2 :: 2.332 HB3 :: 3.328 HD2 :: 6.844 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 :: 117.397 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.K102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.71 R 0.21 M 0.05 G 0.01 C Shift Assignments>> C :: 176.823 CA :: 59.915 CB :: 32.825 CG :: 23.864 CD :: 29.351 CE :: 41.931 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 :: 7.324 HA :: 3.611 HB2 :: 1.508 HB3 :: 1.508 HG2 :: 0.527 HG3 :: 0.969 HD2 :: 1.299 HD3 :: 1.364 HE2 :: 2.654 HE3 :: 2.654 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 120.533 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.D103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.26 F 0.18 Y 0.17 L 0.15 N 0.12 K 0.06 I 0.02 C Shift Assignments>> C :: 176.793 CA :: 55.500 CB :: 40.178 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 :: 8.361 HA :: 4.421 HB2 :: 2.520 HB3 :: 2.652 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 :: 114.814 Ave N Shift Values>> N :: 120.73(4.2) 1.E104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.19 M 0.18 H 0.17 E 0.15 K 0.14 Q 0.11 V 0.02 I 0.01 C Shift Assignments>> C :: 175.777 CA :: 56.356 CB :: 31.293 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 :: 7.858 HA :: 4.339 HB2 :: 2.077 HB3 :: 2.292 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 :: 116.826 Ave N Shift Values>> N :: 120.68(3.68) 1.V105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 174.482 CA :: 60.370 CB :: 34.341 CG1 :: 21.388 CG2 :: 21.388 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 :: 7.201 HA :: 4.296 HB :: 1.977 HG11 :: 1.038 HG12 :: 1.038 HG13 :: 1.038 HG21 :: 1.038 HG22 :: 1.038 HG23 :: 1.038 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 :: 116.422 Ave N Shift Values>> N :: 121.02(4.96) 1.A106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.73 M 0.24 L 0.01 C Shift Assignments>> C :: 179.030 CA :: 52.966 CB :: 19.371 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.487 HA :: 4.172 HB1 :: 1.417 HB2 :: 1.417 HB3 :: 1.417 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 128.313 Ave N Shift Values>> N :: 123.23(3.7) 1.G107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 P 0.04 L 0.04 A 0.03 N 0.01 C Shift Assignments>> C :: 174.958 CA :: 47.449 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.738 HA2 :: 3.773 HA3 :: 3.998 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.612 Ave N Shift Values>> N :: 109.91(4.29) 1.D108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.3 F 0.27 D 0.14 L 0.08 N 0.07 I 0.06 E 0.02 K 0.01 HN Overlap>> 1.E57 1.E57 C Shift Assignments>> C :: 179.133 CA :: 56.721 CB :: 39.336 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 :: 8.535 HA :: 4.333 HB2 :: 2.521 HB3 :: 2.651 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 :: 117.474 Ave N Shift Values>> N :: 120.73(4.2) 1.I109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 176.735 CA :: 63.474 CB :: 37.340 CG1 :: 28.220 CG2 :: 17.653 CD1 :: 12.636 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 :: 7.459 HA :: 3.688 HB :: 1.959 HG12 :: 1.061 HG13 :: 1.494 HG21 :: 0.733 HG22 :: 0.733 HG23 :: 0.733 HD11 :: 0.747 HD12 :: 0.747 HD13 :: 0.747 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 :: 119.609 Ave N Shift Values>> N :: 121.6(4.72) 1.F110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> C :: 177.132 CA :: 62.766 CB :: 39.752 CD1 :: 131.733 CD2 :: 131.733 CE1 :: 131.509 CE2 :: 131.509 CZ :: 129.662 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 :: 7.920 HA :: 3.759 HB2 :: 2.924 HB3 :: 3.173 HD1 :: 7.130 HD2 :: 7.130 HE1 :: 7.232 HE2 :: 7.232 HZ :: 7.229 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 :: 120.906 Ave N Shift Values>> N :: 120.69(4.18) 1.D111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.29 F 0.29 D 0.12 L 0.09 I 0.07 N 0.04 K 0.03 E 0.01 C Shift Assignments>> C :: 178.900 CA :: 57.105 CB :: 39.697 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 :: 8.639 HA :: 4.216 HB2 :: 2.618 HB3 :: 2.618 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 :: 117.124 Ave N Shift Values>> N :: 120.73(4.2) 1.M112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.96 A 0.03 C Shift Assignments>> C :: 179.052 CA :: 58.202 CB :: 31.827 CG :: 31.650 CE :: 17.135 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 :: 7.331 HA :: 4.081 HB2 :: 2.009 HB3 :: 2.184 HG2 :: 2.180 HG3 :: 2.444 HE1 :: 1.994 HE2 :: 1.994 HE3 :: 1.994 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 :: 118.061 Ave N Shift Values>> N :: 120.1(3.88) 1.L113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.86 R 0.1 K 0.02 C Shift Assignments>> C :: 179.747 CA :: 57.371 CB :: 40.671 CG :: 27.771 CD1 :: 26.099 CD2 :: 23.268 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 :: 8.001 HA :: 3.723 HB2 :: 1.353 HB3 :: 1.701 HG :: 1.858 HD11 :: 0.884 HD12 :: 0.884 HD13 :: 0.884 HD21 :: 0.892 HD22 :: 0.892 HD23 :: 0.892 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 :: 120.426 Ave N Shift Values>> N :: 121.98(4.07) 1.L114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.93 R 0.04 G 0.01 C Shift Assignments>> C :: 179.358 CA :: 57.202 CB :: 41.727 CG :: 26.671 CD1 :: 23.909 CD2 :: 24.533 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 :: 7.744 HA :: 4.007 HB2 :: 1.482 HB3 :: 1.490 HG :: 1.486 HD11 :: 0.696 HD12 :: 0.696 HD13 :: 0.696 HD21 :: 0.791 HD22 :: 0.791 HD23 :: 0.791 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 :: 119.584 Ave N Shift Values>> N :: 121.98(4.07) 1.T115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.591 CA :: 65.332 CB :: 70.319 CG2 :: 22.120 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 :: 7.353 HA :: 4.071 HB :: 4.468 HG1 :: 6.258 HG21 :: 1.447 HG22 :: 1.447 HG23 :: 1.447 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 :: 107.535 Ave N Shift Values>> N :: 115.7(5.05) 1.F116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> C :: 176.488 CA :: 55.911 CB :: 38.521 CD1 :: 131.668 CD2 :: 131.668 CE1 :: 130.537 CE2 :: 130.537 CZ :: 128.911 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 6.979 HA :: 5.022 HB2 :: 3.179 HB3 :: 3.226 HD1 :: 7.133 HD2 :: 7.133 HE1 :: 6.743 HE2 :: 6.743 HZ :: 6.859 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 :: 112.366 Ave N Shift Values>> N :: 120.69(4.18) 1.T117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.085 CA :: 61.636 CB :: 70.915 CG2 :: 21.630 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 :: 7.564 HA :: 4.626 HB :: 4.277 HG21 :: 1.146 HG22 :: 1.146 HG23 :: 1.146 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 :: 105.498 Ave N Shift Values>> N :: 115.7(5.05) 1.D118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.35 R 0.22 D 0.16 G 0.11 K 0.05 F 0.03 Y 0.02 N 0.02 C Shift Assignments>> C :: 176.328 CA :: 53.417 CB :: 43.388 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 :: 8.270 HA :: 4.955 HB2 :: 2.457 HB3 :: 2.949 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 :: 124.409 Ave N Shift Values>> N :: 120.73(4.2) 1.F119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> CA :: 61.490 CB :: 39.246 CD1 :: 132.328 CD2 :: 132.328 CE1 :: 130.602 CE2 :: 130.602 CZ :: 128.904 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 :: 8.973 HA :: 3.506 HB2 :: 2.717 HB3 :: 2.862 HD1 :: 6.674 HD2 :: 6.674 HE1 :: 7.219 HE2 :: 7.219 HZ :: 7.111 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 :: 126.688 Ave N Shift Values>> N :: 120.69(4.18) 1.L120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.96 R 0.02 HN Overlap>> 1.Q42 1.Q42 C Shift Assignments>> C :: 179.601 CA :: 58.174 CB :: 40.315 CG :: 27.539 CD1 :: 23.463 CD2 :: 24.706 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 :: 8.099 HA :: 3.842 HB2 :: 1.549 HB3 :: 1.843 HG :: 1.732 HD11 :: 0.921 HD12 :: 0.921 HD13 :: 0.921 HD21 :: 0.947 HD22 :: 0.947 HD23 :: 0.947 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 117.930 Ave N Shift Values>> N :: 121.98(4.07) 1.A121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.56 A 0.39 I 0.03 C Shift Assignments>> C :: 180.995 CA :: 54.832 CB :: 17.706 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.729 HA :: 3.996 HB1 :: 1.385 HB2 :: 1.385 HB3 :: 1.385 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.195 Ave N Shift Values>> N :: 123.23(3.7) 1.F122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.77 F 0.22 C Shift Assignments>> C :: 175.410 CA :: 61.075 CB :: 38.115 CD1 :: 133.392 CD2 :: 133.392 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 :: 7.943 HA :: 3.887 HB2 :: 2.975 HB3 :: 3.836 HD1 :: 6.778 HD2 :: 6.778 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 :: 121.798 Ave N Shift Values>> N :: 120.69(4.18) 1.K123 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.55 K 0.37 G 0.04 M 0.02 C Shift Assignments>> C :: 178.453 CA :: 59.855 CB :: 32.374 CG :: 26.176 CD :: 30.116 CE :: 42.687 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 :: 8.468 HA :: 3.077 HB2 :: 1.235 HB3 :: 1.645 HG2 :: 1.018 HG3 :: 1.175 HD2 :: 1.667 HD3 :: 1.680 HE2 :: 3.043 HE3 :: 3.131 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 120.614 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) SRO Rule Breaks>> (HA > HE3 : 0.9935) 1.E124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 I 0.22 K 0.19 Q 0.13 M 0.02 R 0.01 C Shift Assignments>> C :: 177.743 CA :: 59.406 CB :: 28.811 CG :: 35.503 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 :: 8.100 HA :: 3.652 HB2 :: 1.911 HB3 :: 1.941 HG2 :: 2.191 HG3 :: 2.326 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 :: 117.404 Ave N Shift Values>> N :: 120.68(3.68) 1.M125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.97 I 0.01 A 0.01 C Shift Assignments>> C :: 179.522 CA :: 58.832 CB :: 31.765 CG :: 30.493 CE :: 16.381 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 :: 7.537 HA :: 3.860 HB2 :: 1.833 HB3 :: 2.248 HG2 :: 1.695 HG3 :: 2.247 HE1 :: 1.273 HE2 :: 1.273 HE3 :: 1.273 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 :: 119.413 Ave N Shift Values>> N :: 120.1(3.88) 1.F126 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> F 0.75 Y 0.24 C Shift Assignments>> C :: 178.994 CA :: 63.148 CB :: 39.830 CD1 :: 130.817 CD2 :: 130.817 CE1 :: 130.666 CE2 :: 130.666 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 :: 7.148 HA :: 3.633 HB2 :: 1.676(S) HB3 :: 1.807 HD1 :: 5.979 HD2 :: 5.979 HE1 :: 7.065 HE2 :: 7.065 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 :: 120.013 Ave N Shift Values>> N :: 120.69(4.18) 1.L127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.91 R 0.04 A 0.03 C Shift Assignments>> C :: 180.621 CA :: 57.944 CB :: 40.543 CG :: 26.513 CD1 :: 22.127 CD2 :: 25.809 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 :: 8.369 HA :: 3.972 HB2 :: 1.377 HB3 :: 1.809 HG :: 1.673 HD11 :: 0.675 HD12 :: 0.675 HD13 :: 0.675 HD21 :: 0.772 HD22 :: 0.772 HD23 :: 0.772 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 :: 119.692 Ave N Shift Values>> N :: 121.98(4.07) 1.D128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.29 F 0.28 D 0.13 L 0.1 I 0.06 N 0.05 K 0.03 E 0.01 C Shift Assignments>> C :: 178.254 CA :: 56.964 CB :: 39.735 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 :: 8.578 HA :: 4.308 HB2 :: 2.531 HB3 :: 2.654 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 :: 121.926 Ave N Shift Values>> N :: 120.73(4.2) 1.Y129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 177.633 CA :: 61.796 CB :: 39.372 CD1 :: 133.039 CD2 :: 133.039 CE1 :: 117.844 CE2 :: 117.844 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 7.710 HA :: 3.908 HB2 :: 2.820 HB3 :: 2.820 HD1 :: 6.603 HD2 :: 6.603 HE1 :: 6.355 HE2 :: 6.355 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 :: 122.548 Ave N Shift Values>> N :: 120.79(4.69) 1.R130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.62 G 0.3 K 0.06 C Shift Assignments>> CA :: 60.084 CB :: 29.902 CG :: 28.284 CD :: 43.852 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 :: 8.622 HA :: 3.722 HB2 :: 2.097 HB3 :: 2.104 HG2 :: 1.638 HG3 :: 1.696 HD2 :: 3.272 HD3 :: 3.579 HE :: 7.524 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 :: 118.302 NE :: 106.002 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.A131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.6 A 0.34 I 0.04 HN Overlap>> 1.I32 1.I32 C Shift Assignments>> C :: 180.456 CA :: 55.133 CB :: 17.750 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.936 HA :: 3.997 HB1 :: 1.402 HB2 :: 1.402 HB3 :: 1.402 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.788 Ave N Shift Values>> N :: 123.23(3.7) 1.E132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.43 K 0.19 I 0.18 Q 0.12 M 0.02 R 0.01 C Shift Assignments>> C :: 179.528 CA :: 58.849 CB :: 28.930 CG :: 35.664 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 :: 7.622 HA :: 3.862 HB2 :: 1.859 HB3 :: 1.859 HG2 :: 2.000 HG3 :: 2.140 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 :: 118.428 Ave N Shift Values>> N :: 120.68(3.68) 1.K133 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.48 R 0.47 M 0.02 G 0.01 HN Overlap>> 1.L40 1.L40 C Shift Assignments>> C :: 175.725 CA :: 57.544 CB :: 31.770 CG :: 23.883 CD :: 27.618 CE :: 42.041 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 :: 7.853 HA :: 3.722 HB2 :: 1.437 HB3 :: 1.487 HG2 :: 0.412(S) HG3 :: 0.694 HD2 :: 1.099 HD3 :: 1.161 HE2 :: 2.464 HE3 :: 2.674 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 :: 119.473 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.64 I 0.19 M 0.08 K 0.06 C Shift Assignments>> C :: 177.453 CA :: 57.222 CB :: 30.091 CG :: 37.267 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 :: 8.151 HA :: 4.161 HB2 :: 1.984 HB3 :: 2.091 HG2 :: 2.262 HG3 :: 2.498 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 :: 116.525 Ave N Shift Values>> N :: 120.68(3.68) 1.G135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.9 L 0.07 R 0.01 C Shift Assignments>> C :: 174.538 CA :: 45.975 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.702 HA2 :: 3.896 HA3 :: 3.897 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.924 Ave N Shift Values>> N :: 109.91(4.29) 1.R136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.68 K 0.16 G 0.15 HN Overlap>> 1.I32 1.I32 C Shift Assignments>> C :: 175.864 CA :: 56.016 CB :: 30.987 CG :: 27.325 CD :: 43.580 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 :: 8.045 HA :: 4.323 HB2 :: 1.663 HB3 :: 1.834 HG2 :: 1.549 HG3 :: 1.550 HD2 :: 3.140 HD3 :: 3.140 HE :: 7.203 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 :: 119.708 NE :: 84.466 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.G137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.91 L 0.06 C Shift Assignments>> CA :: 46.112 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.904 HA2 :: 3.628 HA3 :: 3.656 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 115.466 Ave N Shift Values>> N :: 109.91(4.29) ########################################################################### Overall Results: #Consistent: 124 #Clerical: 0 #Suspicious: 11 #Anomalous: 2 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 124 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 13 Shift Relative Order (SRO) Results: #Consistent: 135 #Suspicious: 2 C Shift Results: #Consistent: 575 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 1 H Shift Results: #Consistent: 895 #Duplicate: 0 #Unknown: 0 #Suspicious: 10 #Anomalous: 1 N Shift Results: #Consistent: 133 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.M46 HB2 = 0.502(S), Expected = 2.03, Std = 0.3800, ChiSquare = 5.7939e-05 1.K48 HG2 = 0.113(S), Expected = 1.38, Std = 0.2700, ChiSquare = 2.6976e-06 1.L51 HG = 0.451(S), Expected = 1.54, Std = 0.3300, ChiSquare = 9.6685e-04 1.K60 H = 5.892(S), Expected = 8.22, Std = 0.6400, ChiSquare = 2.7530e-04 1.K60 HB2 = -0.212(A), Expected = 1.79, Std = 0.2500, ChiSquare = 1.1659e-15 1.T64 CA = 69.362(A), Expected = 62.15, Std = 2.7200, ChiSquare = 8.0142e-03 1.I66 HG12 = -0.305(S), Expected = 1.30, Std = 0.4000, ChiSquare = 6.0079e-05 1.Y70 SRO Rule Break>> HA > HB2 : 0.992304403591278 1.Y70 SRO Rule Break>> HA > HB3 : 0.996503496503496 1.E75 HB2 = 0.718(S), Expected = 2.04, Std = 0.2200, ChiSquare = 1.8657e-09 1.L82 HB2 = 0.222(S), Expected = 1.63, Std = 0.3400, ChiSquare = 3.4553e-05 1.R85 HD2 = 2.139(S), Expected = 3.13, Std = 0.2300, ChiSquare = 1.6422e-05 1.K123 SRO Rule Break>> HA > HE3 : 0.993548387096774 1.F126 HB2 = 1.676(S), Expected = 2.99, Std = 0.3700, ChiSquare = 3.8326e-04 1.K133 HG2 = 0.412(S), Expected = 1.38, Std = 0.2700, ChiSquare = 3.3684e-04