Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G2 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.S4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H6 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H7 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H8 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H9 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H10 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S11 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S12 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G13 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.L14 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.V15 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P16 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.R17 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G18 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S19 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.M20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.35 C 0.34 A 0.28 I 0.01 C Shift Assignments>> C :: 177.527 CA :: 54.381 CB :: 35.602 CG :: 31.302 CE :: 17.150 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 :: 9.048 HA :: 4.609 HB2 :: 1.792 HB3 :: 1.792 HG2 :: 2.248 HG3 :: 2.079 HE1 :: 1.693 HE2 :: 1.693 HE3 :: 1.693 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 :: 119.795 Ave N Shift Values>> N :: 120.1(3.88) 1.Q21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.24 C 0.24 K 0.19 E 0.16 M 0.11 R 0.02 C Shift Assignments>> C :: 173.897 CA :: 55.746 CB :: 29.774 CG :: 34.338 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 :: 8.299 HA :: 4.537 HB2 :: 1.722 HB3 :: 1.539 HG2 :: 1.958 HG3 :: 1.630 HE21 :: 6.683 HE22 :: 7.068 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 :: 122.076 NE2 :: 111.600 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.L22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.45 C 0.42 L 0.09 A 0.01 C Shift Assignments>> C :: 176.831 CA :: 53.153 CB :: 46.847 CD1 :: 27.134 CD2 :: 24.410 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 :: 8.623 HA :: 4.319 HB2 :: 1.386 HB3 :: 1.097 HD11 :: 0.580 HD12 :: 0.580 HD13 :: 0.580 HD21 :: 0.690 HD22 :: 0.690 HD23 :: 0.690 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 126.077 Ave N Shift Values>> N :: 121.98(4.07) 1.F23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.63 C 0.36 C Shift Assignments>> C :: 175.330 CA :: 55.500 CB :: 40.529 CD1 :: 132.094 CD2 :: 132.094 CE1 :: 131.059 CE2 :: 131.059 CZ :: 129.343 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 :: 8.272 HA :: 5.537 HB2 :: 3.166 HB3 :: 2.854 HD1 :: 7.008 HD2 :: 7.008 HE1 :: 7.094 HE2 :: 7.094 HZ :: 7.064 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 :: 122.383 Ave N Shift Values>> N :: 120.69(4.18) 1.V24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 V 0.4 M 0.07 I 0.01 K 0.01 HN Overlap>> 1.V59 1.V59 C Shift Assignments>> C :: 174.197 CA :: 60.496 CB :: 35.056 CG1 :: 21.740 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.191 HA :: 4.797 HB :: 1.779 HG11 :: 0.653 HG12 :: 0.653 HG13 :: 0.653 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 121.004 Ave N Shift Values>> N :: 121.02(4.96) 1.R25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.41 C 0.35 K 0.16 G 0.06 C Shift Assignments>> C :: 174.210 CA :: 54.982 CB :: 32.059 CG :: 27.052 CD :: 43.178 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 :: 9.254 HA :: 4.786 HB2 :: 1.887 HB3 :: 1.437 HG2 :: 1.526 HG3 :: 1.526 HD2 :: 3.045 HD3 :: 3.045 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 :: 129.567 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.A26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.77 M 0.2 C 0.01 C Shift Assignments>> C :: 176.926 CA :: 51.980 CB :: 17.968 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.407 HA :: 4.873 HB1 :: 1.453 HB2 :: 1.453 HB3 :: 1.453 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 134.692 Ave N Shift Values>> N :: 123.23(3.7) 1.Q27 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.31 E 0.22 K 0.17 Q 0.15 I 0.1 R 0.02 M 0.01 C Shift Assignments>> C :: 177.650 CA :: 59.295 CB :: 28.600 CG :: 34.979 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 :: 10.266(S) HA :: 4.151 HB2 :: 2.074 HB3 :: 2.183 HG2 :: 2.455 HG3 :: 2.248 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 :: 127.746 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.E28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 M 0.33 E 0.17 Q 0.02 HN Overlap>> 1.T31 1.T31 C Shift Assignments>> C :: 173.801 CA :: 53.371 CB :: 32.272 CG :: 35.932 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 :: 8.627 HA :: 4.331 HB2 :: 1.699 HB3 :: 1.386 HG2 :: 2.000 HG3 :: 2.000 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 :: 117.769 Ave N Shift Values>> N :: 120.68(3.68) 1.L29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.61 C 0.23 R 0.07 G 0.05 A 0.02 C Shift Assignments>> C :: 175.739 CA :: 54.245 CB :: 42.856 CG :: 26.997 CD1 :: 25.227 CD2 :: 23.402 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 :: 8.162 HA :: 4.602 HB2 :: 1.671 HB3 :: 1.118 HG :: 1.309 HD11 :: 0.629 HD12 :: 0.629 HD13 :: 0.629 HD21 :: 0.711 HD22 :: 0.711 HD23 :: 0.711 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 :: 121.140 Ave N Shift Values>> N :: 121.98(4.07) 1.H30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.72 H 0.27 C Shift Assignments>> C :: 174.552 CA :: 55.255 CB :: 33.909 CD2 :: 119.709 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 9.030 HA :: 4.646 HB2 :: 2.691 HB3 :: 2.691 HD2 :: 6.840 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 :: 128.018 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.T31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 HN Overlap>> 1.E28 1.E28 C Shift Assignments>> C :: 173.091 CA :: 61.123 CB :: 70.186 CG2 :: 20.541 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 :: 8.622 HA :: 4.913 HB :: 3.821 HG21 :: 0.927 HG22 :: 0.927 HG23 :: 0.927 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 :: 117.769 Ave N Shift Values>> N :: 115.7(5.05) 1.F32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.66 C 0.31 G 0.01 C Shift Assignments>> C :: 173.678 CA :: 55.009 CB :: 42.125 CD1 :: 131.522 CD2 :: 131.522 CE1 :: 130.296 CE2 :: 130.296 CZ :: 128.362 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 :: 8.743 HA :: 4.919 HB2 :: 3.091 HB3 :: 2.562 HD1 :: 6.919 HD2 :: 6.919 HE1 :: 6.826 HE2 :: 6.826 HZ :: 6.657 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 124.477 Ave N Shift Values>> N :: 120.69(4.18) 1.E33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.36 M 0.15 K 0.05 Q 0.03 I 0.02 C Shift Assignments>> C :: 176.271 CA :: 55.337 CB :: 30.715 CG :: 36.423 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 :: 8.431 HA :: 4.864 HB2 :: 1.753 HB3 :: 1.753 HG2 :: 2.040 HG3 :: 1.901 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 :: 121.327 Ave N Shift Values>> N :: 120.68(3.68) 1.V34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.69 V 0.26 A 0.01 I 0.01 C Shift Assignments>> C :: 175.452 CA :: 58.749 CB :: 34.216 CG1 :: 22.121 CG2 :: 18.825 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 :: 8.885 HA :: 4.834 HB :: 2.562 HG11 :: 0.598 HG12 :: 0.598 HG13 :: 0.598 HG21 :: 0.519 HG22 :: 0.519 HG23 :: 0.519 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 :: 116.849 Ave N Shift Values>> N :: 121.02(4.96) 1.T35 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> T 0.92 C 0.07 C Shift Assignments>> C :: 177.663 CA :: 62.405 CB :: 71.468 CG2 :: 21.413 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 :: 10.738(S) HA :: 4.550 HB :: 4.293 HG21 :: 1.163 HG22 :: 1.163 HG23 :: 1.163 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 :: 113.206 Ave N Shift Values>> N :: 115.7(5.05) 1.G36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.72 L 0.11 C 0.08 R 0.05 C Shift Assignments>> C :: 173.596 CA :: 45.129 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.884 HA2 :: 4.544 HA3 :: 3.301 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.253 Ave N Shift Values>> N :: 109.91(4.29) 1.Q37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.27 C 0.24 K 0.23 E 0.12 M 0.07 R 0.04 C Shift Assignments>> C :: 175.643 CA :: 55.418 CB :: 29.242 CG :: 33.998 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 :: 7.872 HA :: 4.235 HB2 :: 2.166 HB3 :: 1.681 HG2 :: 2.187 HG3 :: 2.187 HE21 :: 6.790 HE22 :: 7.629 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 118.126 NE2 :: 112.280 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.E38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 E 0.32 K 0.12 I 0.11 Q 0.06 M 0.01 C Shift Assignments>> C :: 176.353 CA :: 57.712 CB :: 28.655 CG :: 36.123 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 :: 9.311 HA :: 4.083 HB2 :: 1.893 HB3 :: 1.667 HG2 :: 2.191 HG3 :: 2.191 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.748 Ave N Shift Values>> N :: 120.68(3.68) 1.T39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.79 C 0.19 C Shift Assignments>> C :: 176.258 CA :: 59.759 CB :: 70.923 CG2 :: 22.149 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 :: 8.105 HA :: 4.868 HB :: 4.432 HG21 :: 1.063 HG22 :: 1.063 HG23 :: 1.063 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 109.971 Ave N Shift Values>> N :: 115.7(5.05) 1.V40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.9 C 0.09 C Shift Assignments>> C :: 178.851 CA :: 67.265 CB :: 31.288 CG1 :: 22.012 CG2 :: 24.791 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 :: 8.471 HA :: 3.148 HB :: 2.470 HG11 :: 0.700 HG12 :: 0.700 HG13 :: 0.700 HG21 :: 0.766 HG22 :: 0.766 HG23 :: 0.766 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 :: 123.813 Ave N Shift Values>> N :: 121.02(4.96) 1.A41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.54 A 0.35 C 0.03 I 0.03 V 0.01 C Shift Assignments>> C :: 180.543 CA :: 55.391 CB :: 18.678 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.045 HA :: 3.701 HB1 :: 1.269 HB2 :: 1.269 HB3 :: 1.269 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.816 Ave N Shift Values>> N :: 123.23(3.7) 1.Q42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 K 0.2 Q 0.2 E 0.16 I 0.06 R 0.04 M 0.01 C Shift Assignments>> C :: 179.328 CA :: 58.940 CB :: 28.200 CG :: 34.570 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.891 HA :: 3.885 HB2 :: 1.891 HB3 :: 2.330 HG2 :: 2.331 HG3 :: 2.248 HE21 :: 6.818 HE22 :: 7.436 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 :: 119.301 NE2 :: 111.280 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.I43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 I 0.48 C Shift Assignments>> C :: 177.677 CA :: 62.405 CB :: 35.742 CG1 :: 27.801 CG2 :: 17.436 CD1 :: 9.591 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 :: 7.653 HA :: 3.610 HB :: 2.114 HG12 :: 1.580 HG13 :: 1.058 HG21 :: 0.614 HG22 :: 0.614 HG23 :: 0.614 HD11 :: 0.423 HD12 :: 0.423 HD13 :: 0.423 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 121.191 Ave N Shift Values>> N :: 121.6(4.72) 1.K44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.41 C 0.4 R 0.15 M 0.02 C Shift Assignments>> C :: 177.568 CA :: 60.059 CB :: 32.627 CG :: 25.063 CD :: 29.830 CE :: 41.816 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 :: 8.556 HA :: 3.589 HB2 :: 1.644 HB3 :: 1.644 HG2 :: 1.171 HG3 :: 1.119 HD2 :: 1.537 HD3 :: 1.537 HE2 :: 2.694 HE3 :: 2.694 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 120.135 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.A45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.58 A 0.34 I 0.04 C 0.02 C Shift Assignments>> C :: 180.175 CA :: 55.064 CB :: 17.696 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.118 HA :: 3.844 HB1 :: 1.378 HB2 :: 1.378 HB3 :: 1.378 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.795 Ave N Shift Values>> N :: 123.23(3.7) 1.H46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 H 0.45 C Shift Assignments>> C :: 178.387 CA :: 59.158 CB :: 31.016 CD2 :: 119.509 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 :: 7.817 HA :: 4.301 HB2 :: 2.973 HB3 :: 2.973 HD2 :: 6.734 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 119.795 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.V47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.93 C 0.06 C Shift Assignments>> C :: 176.285 CA :: 66.719 CB :: 31.288 CG1 :: 23.674 CG2 :: 21.114 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 :: 8.128 HA :: 3.096 HB :: 1.945 HG11 :: 0.850 HG12 :: 0.850 HG13 :: 0.850 HG21 :: 0.621 HG22 :: 0.621 HG23 :: 0.621 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 :: 118.722 Ave N Shift Values>> N :: 121.02(4.96) 1.A48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.56 A 0.35 I 0.03 C 0.02 HN Overlap>> 1.M90 1.M90 C Shift Assignments>> C :: 179.915 CA :: 55.091 CB :: 17.887 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.456 HA :: 3.844 HB1 :: 1.288 HB2 :: 1.288 HB3 :: 1.288 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.685 Ave N Shift Values>> N :: 123.23(3.7) 1.S49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.913 CA :: 61.014 CB :: 62.707 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.706 HA :: 4.175 HB2 :: 3.912 HB3 :: 3.912 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 112.968 Ave N Shift Values>> N :: 116.3(3.95) 1.L50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 C 0.33 R 0.05 G 0.02 A 0.01 C Shift Assignments>> C :: 179.287 CA :: 57.302 CB :: 42.312 CG :: 26.207 CD1 :: 25.309 CD2 :: 22.176 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 :: 7.510 HA :: 4.044 HB2 :: 1.623 HB3 :: 1.287 HG :: 1.443 HD11 :: 0.509 HD12 :: 0.509 HD13 :: 0.509 HD21 :: 0.717 HD22 :: 0.717 HD23 :: 0.717 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 :: 121.685 Ave N Shift Values>> N :: 121.98(4.07) 1.E51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 E 0.39 M 0.08 I 0.07 K 0.03 C Shift Assignments>> C :: 176.845 CA :: 56.947 CB :: 30.614 CG :: 37.049 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 :: 7.906 HA :: 4.340 HB2 :: 2.246 HB3 :: 1.645 HG2 :: 2.356 HG3 :: 2.197 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 :: 115.351 Ave N Shift Values>> N :: 120.68(3.68) 1.G52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 C 0.14 L 0.04 C Shift Assignments>> C :: 174.429 CA :: 46.670 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.887 HA2 :: 3.916 HA3 :: 3.820 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.426 Ave N Shift Values>> N :: 109.91(4.29) 1.I53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.58 C 0.4 C Shift Assignments>> C :: 174.361 CA :: 59.213 CB :: 40.187 CG1 :: 25.976 CG2 :: 17.300 CD1 :: 12.587 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 :: 7.458 HA :: 4.432 HB :: 1.720 HG12 :: 1.074 HG13 :: 0.958 HG21 :: 0.747 HG22 :: 0.747 HG23 :: 0.747 HD11 :: 0.615 HD12 :: 0.615 HD13 :: 0.615 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 :: 115.045 Ave N Shift Values>> N :: 121.6(4.72) 1.A54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.87 M 0.1 C 0.01 C Shift Assignments>> CA :: 50.070 CB :: 17.899 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.545 HA :: 4.517 HB1 :: 1.313 HB2 :: 1.313 HB3 :: 1.313 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 127.047 Ave N Shift Values>> N :: 123.23(3.7) 1.P55 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 :: 178.168 CA :: 65.300 CB :: 31.465 CG :: 27.161 CD :: 50.465 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 :: 3.875 HB2 :: 1.926 HB3 :: 1.876 HG2 :: 2.026 HG3 :: 1.887 HD2 :: 3.740 HD3 :: 3.872 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.E56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 E 0.3 I 0.18 K 0.1 Q 0.04 M 0.01 C Shift Assignments>> C :: 176.926 CA :: 58.830 CB :: 28.614 CG :: 36.150 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.153 HA :: 4.065 HB2 :: 1.891 HB3 :: 1.891 HG2 :: 2.186 HG3 :: 2.186 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 :: 116.577 Ave N Shift Values>> N :: 120.68(3.68) 1.D57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.24 K 0.16 C 0.12 F 0.08 R 0.05 C Shift Assignments>> C :: 175.002 CA :: 54.245 CB :: 41.443 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 :: 7.496 HA :: 4.725 HB2 :: 2.876 HB3 :: 2.531 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 :: 118.211 Ave N Shift Values>> N :: 120.73(4.2) 1.Q58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.4 C 0.3 Q 0.17 K 0.07 E 0.03 R 0.01 C Shift Assignments>> C :: 175.234 CA :: 53.371 CB :: 31.358 CG :: 33.045 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 :: 7.512 HA :: 4.971 HB2 :: 2.001 HB3 :: 1.529 HG2 :: 2.243 HG3 :: 1.762 HE21 :: 6.431 HE22 :: 6.875 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 :: 117.377 NE2 :: 109.801 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.V59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 V 0.38 HN Overlap>> 1.V24 1.V24 C Shift Assignments>> C :: 173.091 CA :: 60.223 CB :: 35.847 CG1 :: 20.705 CG2 :: 20.487 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 :: 9.187 HA :: 4.285 HB :: 1.793 HG11 :: 0.790 HG12 :: 0.790 HG13 :: 0.790 HG21 :: 0.754 HG22 :: 0.754 HG23 :: 0.754 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 121.004 Ave N Shift Values>> N :: 121.02(4.96) 1.V60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.55 C 0.44 C Shift Assignments>> C :: 173.992 CA :: 61.042 CB :: 32.080 CG1 :: 22.557 CG2 :: 23.402 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 :: 8.674 HA :: 4.687 HB :: 1.781 HG11 :: 0.712 HG12 :: 0.712 HG13 :: 0.712 HG21 :: 0.758 HG22 :: 0.758 HG23 :: 0.758 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 :: 124.902 Ave N Shift Values>> N :: 121.02(4.96) 1.L61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.5 L 0.27 C 0.19 A 0.02 C Shift Assignments>> C :: 176.121 CA :: 53.317 CB :: 45.865 CG :: 26.807 CD1 :: 26.071 CD2 :: 23.701 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 :: 9.458 HA :: 4.974 HB2 :: 1.705 HB3 :: 0.822 HG :: 1.295 HD11 :: 0.603 HD12 :: 0.603 HD13 :: 0.603 HD21 :: 0.397 HD22 :: 0.397 HD23 :: 0.397 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 :: 125.430 Ave N Shift Values>> N :: 121.98(4.07) 1.L62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.4 L 0.33 C 0.19 R 0.05 A 0.01 C Shift Assignments>> C :: 176.026 CA :: 53.726 CB :: 44.821 CG :: 27.651 CD1 :: 26.098 CD2 :: 24.110 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 :: 8.704 HA :: 4.650 HB2 :: 1.835 HB3 :: 1.126 HG :: 1.416 HD11 :: 0.806 HD12 :: 0.806 HD13 :: 0.806 HD21 :: 0.890 HD22 :: 0.890 HD23 :: 0.890 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 :: 122.349 Ave N Shift Values>> N :: 121.98(4.07) 1.A63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.57 M 0.39 C 0.01 C Shift Assignments>> C :: 177.718 CA :: 52.825 CB :: 16.822 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.581 HA :: 3.936 HB1 :: 1.326 HB2 :: 1.326 HB3 :: 1.326 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 133.500 Ave N Shift Values>> N :: 123.23(3.7) 1.G64 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 :: 172.750 CA :: 45.415 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.655 HA2 :: 4.086 HA3 :: 3.412 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 103.110 Ave N Shift Values>> N :: 109.91(4.29) 1.A65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.71 G 0.2 M 0.03 C 0.03 HN Overlap>> 1.E79 1.E79 C Shift Assignments>> CA :: 48.599 CB :: 19.942 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.894 HA :: 4.921 HB1 :: 1.336 HB2 :: 1.336 HB3 :: 1.336 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.873 Ave N Shift Values>> N :: 123.23(3.7) 1.P66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.74 C 0.24 C Shift Assignments>> C :: 177.281 CA :: 62.434 CB :: 32.073 CG :: 27.392 CD :: 50.642 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 :: 4.698 HB2 :: 1.896 HB3 :: 1.777 HG2 :: 2.049 HG3 :: 1.802 HD2 :: 3.717 HD3 :: 3.651 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.L67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.38 G 0.24 A 0.19 C 0.15 R 0.02 C Shift Assignments>> CA :: 52.770 CB :: 43.968 CG :: 26.589 CD1 :: 25.254 CD2 :: 21.876 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 :: 8.745 HA :: 4.571 HB2 :: 1.548 HB3 :: 1.459 HG :: 1.656 HD11 :: 0.726 HD12 :: 0.726 HD13 :: 0.726 HD21 :: 0.825 HD22 :: 0.825 HD23 :: 0.825 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 :: 123.370 Ave N Shift Values>> N :: 121.98(4.07) 1.E68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.35 K 0.09 M 0.07 Q 0.04 I 0.04 C Shift Assignments>> C :: 176.763 CA :: 56.128 CB :: 29.857 CG :: 36.314 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 :: 8.480 HA :: 4.080 HB2 :: 1.998 HB3 :: 1.835 HG2 :: 2.280 HG3 :: 2.280 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 :: 123.404 Ave N Shift Values>> N :: 120.68(3.68) 1.D69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.22 F 0.22 L 0.17 C 0.16 D 0.11 R 0.05 I 0.03 C Shift Assignments>> C :: 177.240 CA :: 57.247 CB :: 41.143 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 :: 4.139 HB2 :: 2.469 HB3 :: 2.469 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 :: 123.115 Ave N Shift Values>> N :: 120.73(4.2) 1.E70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.36 K 0.09 I 0.08 M 0.04 Q 0.03 C Shift Assignments>> C :: 176.599 CA :: 56.674 CB :: 29.433 CG :: 36.586 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 :: 8.287 HA :: 4.182 HB2 :: 2.074 HB3 :: 1.855 HG2 :: 2.199 HG3 :: 2.199 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 112.372 Ave N Shift Values>> N :: 120.68(3.68) 1.A71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.77 M 0.14 C 0.04 L 0.03 C Shift Assignments>> C :: 177.104 CA :: 51.652 CB :: 20.480 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.393 HA :: 4.288 HB1 :: 1.298 HB2 :: 1.298 HB3 :: 1.298 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.638 Ave N Shift Values>> N :: 123.23(3.7) 1.T72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.79 C 0.19 C Shift Assignments>> C :: 177.131 CA :: 59.759 CB :: 70.814 CG2 :: 22.203 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 :: 8.035 HA :: 4.865 HB :: 4.428 HG21 :: 1.063 HG22 :: 1.063 HG23 :: 1.063 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 :: 108.388 Ave N Shift Values>> N :: 115.7(5.05) 1.L73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 L 0.31 K 0.06 I 0.02 A 0.01 C Shift Assignments>> C :: 180.188 CA :: 58.202 CB :: 41.098 CD1 :: 26.616 CD2 :: 21.767 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 :: 8.570 HA :: 3.719 HB2 :: 1.664 HB3 :: 1.106 HD11 :: 0.768 HD12 :: 0.768 HD13 :: 0.768 HD21 :: 0.554 HD22 :: 0.554 HD23 :: 0.554 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 :: 120.425 Ave N Shift Values>> N :: 121.98(4.07) 1.G74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.76 C 0.17 L 0.04 C Shift Assignments>> C :: 177.814 CA :: 46.957 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.941 HA2 :: 3.819 HA3 :: 3.819 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.987 Ave N Shift Values>> N :: 109.91(4.29) 1.Q75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 Q 0.23 K 0.22 E 0.16 R 0.04 I 0.03 M 0.02 C Shift Assignments>> C :: 178.127 CA :: 58.148 CB :: 28.627 CG :: 34.325 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 :: 7.904 HA :: 4.056 HB2 :: 2.071 HB3 :: 2.328 HG2 :: 2.405 HG3 :: 2.405 HE21 :: 6.831 HE22 :: 7.475 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 122.842 NE2 :: 111.708 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.C76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.26 C 0.16 R 0.13 K 0.1 E 0.09 Q 0.08 H 0.07 P 0.03 L 0.02 V 0.01 C Shift Assignments>> C :: 174.265 CA :: 59.977 CB :: 28.082 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.559 HA :: 4.282 HB2 :: 2.971 HB3 :: 2.791 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 114.960 Ave N Shift Values>> N :: 119.95(4.79) 1.G77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.09 L 0.07 R 0.01 C Shift Assignments>> C :: 174.593 CA :: 45.783 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.673 HA2 :: 3.882 HA3 :: 3.701 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.736 Ave N Shift Values>> N :: 109.91(4.29) 1.V78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.82 C 0.17 C Shift Assignments>> C :: 174.306 CA :: 63.716 CB :: 31.125 CG1 :: 22.557 CG2 :: 22.149 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 :: 7.222 HA :: 3.564 HB :: 1.687 HG11 :: 0.813 HG12 :: 0.813 HG13 :: 0.813 HG21 :: 0.745 HG22 :: 0.745 HG23 :: 0.745 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 :: 118.773 Ave N Shift Values>> N :: 121.02(4.96) 1.E79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 M 0.3 E 0.19 Q 0.02 HN Overlap>> 1.A65 1.A65 C Shift Assignments>> C :: 175.835 CA :: 54.326 CB :: 32.654 CG :: 36.082 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 :: 7.853 HA :: 4.490 HB2 :: 2.008 HB3 :: 1.753 HG2 :: 2.187 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 :: 125.941 Ave N Shift Values>> N :: 120.68(3.68) 1.A80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.56 M 0.38 C 0.03 I 0.01 C Shift Assignments>> C :: 178.332 CA :: 54.109 CB :: 18.815 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.553 HA :: 3.945 HB1 :: 1.384 HB2 :: 1.384 HB3 :: 1.384 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.234 Ave N Shift Values>> N :: 123.23(3.7) 1.L81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.69 L 0.28 A 0.01 C Shift Assignments>> C :: 176.067 CA :: 56.646 CB :: 38.249 CG :: 26.970 CD1 :: 25.472 CD2 :: 23.020 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 :: 9.020 HA :: 3.541 HB2 :: 2.197 HB3 :: 1.739 HG :: 1.416 HD11 :: 0.871 HD12 :: 0.871 HD13 :: 0.871 HD21 :: 0.818 HD22 :: 0.818 HD23 :: 0.818 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 :: 113.904 Ave N Shift Values>> N :: 121.98(4.07) 1.T82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.95 C 0.04 C Shift Assignments>> C :: 172.464 CA :: 64.508 CB :: 69.721 CG2 :: 22.830 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 :: 7.723 HA :: 4.130 HB :: 3.999 HG21 :: 1.171 HG22 :: 1.171 HG23 :: 1.171 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 :: 117.496 Ave N Shift Values>> N :: 115.7(5.05) 1.T83 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 :: 174.688 CA :: 61.778 CB :: 69.721 CG2 :: 20.896 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 :: 8.314 HA :: 5.287 HB :: 3.920 HG21 :: 0.967 HG22 :: 0.967 HG23 :: 0.967 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 :: 120.050 Ave N Shift Values>> N :: 115.7(5.05) 1.L84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 G 0.21 C 0.16 K 0.01 A 0.01 C Shift Assignments>> C :: 175.152 CA :: 53.017 CB :: 43.722 CD1 :: 25.554 CD2 :: 24.301 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 :: 8.989 HA :: 4.857 HB2 :: 1.648 HB3 :: 1.339 HD11 :: 0.670 HD12 :: 0.670 HD13 :: 0.670 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 :: 126.928 Ave N Shift Values>> N :: 121.98(4.07) 1.E85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 M 0.23 E 0.16 C Shift Assignments>> C :: 177.172 CA :: 54.573 CB :: 33.159 CG :: 36.627 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 :: 8.596 HA :: 5.189 HB2 :: 1.927 HB3 :: 1.820 HG2 :: 2.179 HG3 :: 1.992 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.697 Ave N Shift Values>> N :: 120.68(3.68) 1.V86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.66 C 0.33 C Shift Assignments>> C :: 174.743 CA :: 61.478 CB :: 32.926 CG1 :: 21.304 CG2 :: 22.203 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 :: 8.471 HA :: 4.814 HB :: 1.796 HG11 :: 0.727 HG12 :: 0.727 HG13 :: 0.727 HG21 :: 0.687 HG22 :: 0.687 HG23 :: 0.687 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 :: 123.047 Ave N Shift Values>> N :: 121.02(4.96) 1.A87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.32 L 0.3 C 0.22 M 0.08 K 0.02 C Shift Assignments>> C :: 175.944 CA :: 50.178 CB :: 22.800 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.971 HA :: 4.674 HB1 :: 1.204 HB2 :: 1.204 HB3 :: 1.204 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 131.780 Ave N Shift Values>> N :: 123.23(3.7) 1.G88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.77 L 0.09 C 0.08 R 0.03 C Shift Assignments>> C :: 174.593 CA :: 45.264 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.289 HA2 :: 4.267 HA3 :: 3.572 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.541 Ave N Shift Values>> N :: 109.91(4.29) 1.R89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.41 C 0.36 K 0.15 G 0.06 C Shift Assignments>> C :: 177.049 CA :: 56.782 CB :: 30.934 CG :: 27.569 CD :: 43.342 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 :: 8.199 HA :: 3.995 HB2 :: 1.565 HB3 :: 1.500 HG2 :: 1.390 HG3 :: 1.390 HD2 :: 3.091 HD3 :: 3.091 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 :: 122.161 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.M90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.45 C 0.35 A 0.18 HN Overlap>> 1.A48 1.A48 C Shift Assignments>> C :: 176.053 CA :: 55.118 CB :: 32.528 CG :: 31.982 CE :: 17.104 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 :: 8.479 HA :: 4.377 HB2 :: 1.963 HB3 :: 1.911 HG2 :: 2.492 HG3 :: 2.406 HE1 :: 1.960 HE2 :: 1.960 HE3 :: 1.960 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 :: 121.668 Ave N Shift Values>> N :: 120.1(3.88) 1.L91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.66 C 0.26 K 0.02 A 0.02 G 0.01 C Shift Assignments>> C :: 177.602 CA :: 55.145 CB :: 42.098 CD1 :: 24.845 CD2 :: 23.429 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 :: 8.259 HA :: 4.239 HB2 :: 1.576 HB3 :: 1.497 HD11 :: 0.821 HD12 :: 0.821 HD13 :: 0.821 HD21 :: 0.760 HD22 :: 0.760 HD23 :: 0.760 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 :: 124.272 Ave N Shift Values>> N :: 121.98(4.07) 1.G92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.76 L 0.09 C 0.08 R 0.04 C Shift Assignments>> C :: 173.678 CA :: 45.237 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.318 HA2 :: 3.858 HA3 :: 3.858 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 121.787 Ave N Shift Values>> N :: 109.91(4.29) 1.G93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.09 L 0.06 R 0.01 C Shift Assignments>> CA :: 45.930 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.859 HA2 :: 3.685 HA3 :: 3.629 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 115.147 Ave N Shift Values>> N :: 109.91(4.29) ########################################################################### Overall Results: #Consistent: 91 #Clerical: 0 #Suspicious: 2 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 74 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 19 Shift Relative Order (SRO) Results: #Consistent: 93 #Suspicious: 0 C Shift Results: #Consistent: 305 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 507 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 0 N Shift Results: #Consistent: 77 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.Q27 H = 10.266(S), Expected = 8.22, Std = 0.6200, ChiSquare = 9.6685e-04 1.T35 H = 10.738(S), Expected = 8.27, Std = 0.6200, ChiSquare = 6.8728e-05