Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.S1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 170.428 CA :: 57.404 CB :: 63.183 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 4.127 HB2 :: 3.967 HB3 :: 3.926 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) 1.A2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.97 C 0.01 C Shift Assignments>> C :: 176.106 CA :: 52.504 CB :: 19.016 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.421 HA :: 4.227 HB1 :: 0.757 HB2 :: 0.757 HB3 :: 0.757 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.746 Ave N Shift Values>> N :: 123.23(3.54) 1.K3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.54 C 0.38 R 0.04 G 0.01 A 0.01 C Shift Assignments>> C :: 175.343 CA :: 54.848 CB :: 34.392 CG :: 24.055 CD :: 29.210 CE :: 42.113 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.275 HA :: 4.336 HB2 :: 1.701 HB3 :: 1.701 HG2 :: 1.394 HG3 :: 1.327 HD2 :: 1.639 HD3 :: 1.639 HE2 :: 2.995 HE3 :: 2.995 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.527 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.22 D 0.22 K 0.17 F 0.16 Y 0.12 C 0.07 R 0.02 C Shift Assignments>> C :: 177.084 CA :: 55.908 CB :: 41.206 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.288 HA :: 4.377 HB2 :: 2.548 HB3 :: 2.548 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.351 Ave N Shift Values>> N :: 120.65(3.86) 1.G5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> C :: 174.205 CA :: 45.496 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.823 HA2 :: 4.249 HA3 :: 3.644 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.320 Ave N Shift Values>> N :: 109.67(3.87) 1.D6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.24 F 0.13 K 0.13 Y 0.1 C 0.06 R 0.01 C Shift Assignments>> C :: 175.139 CA :: 55.022 CB :: 41.095 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.291 HA :: 4.641 HB2 :: 2.810 HB3 :: 2.657 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 121.054 Ave N Shift Values>> N :: 120.65(3.86) 1.V7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.97 V 0.01 C Shift Assignments>> C :: 175.917 CA :: 59.486 CB :: 37.503 CG1 :: 22.387 CG2 :: 17.855 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.242 HA :: 5.505 HB :: 2.113 HG11 :: 0.943 HG12 :: 0.943 HG13 :: 0.943 HG21 :: 0.886 HG22 :: 0.886 HG23 :: 0.886 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 110.156 Ave N Shift Values>> N :: 121.14(4.54) 1.E8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.62 E 0.24 Q 0.12 C Shift Assignments>> C :: 175.138 CA :: 55.018 CB :: 32.660 CG :: 35.205 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.428 HA :: 4.708 HB2 :: 1.820 HB3 :: 1.537 HG2 :: 1.932 HG3 :: 1.932 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.824 Ave N Shift Values>> N :: 120.67(3.48) 1.G9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.61 L 0.2 R 0.08 C 0.04 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> CA :: 44.687 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.498 HA2 :: 4.051 HA3 :: 4.051 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.265 Ave N Shift Values>> N :: 109.67(3.87) 1.P10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.63 C 0.36 C Shift Assignments>> C :: 175.902 CA :: 62.256 CB :: 32.312 CG :: 27.345 CD :: 49.584 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.453 HB2 :: 2.289 HB3 :: 1.894 HG2 :: 2.020 HG3 :: 1.931 HD2 :: 3.654 HD3 :: 3.654 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.A11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.97 C 0.02 C Shift Assignments>> C :: 179.442 CA :: 53.666 CB :: 17.902 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.424 HA :: 4.161 HB1 :: 1.366 HB2 :: 1.366 HB3 :: 1.366 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.340 Ave N Shift Values>> N :: 123.23(3.54) 1.G12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 L 0.11 C 0.03 R 0.02 F 0.01 C Shift Assignments>> C :: 174.908 CA :: 45.155 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.795 HA2 :: 4.168 HA3 :: 3.691 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.386 Ave N Shift Values>> N :: 109.67(3.87) 1.C13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 L 0.22 F 0.16 Y 0.13 K 0.1 C 0.07 C Shift Assignments>> C :: 173.390 CA :: 55.412 CB :: 40.858 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.051 HA :: 4.575 HB2 :: 3.162 HB3 :: 3.135 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 118.593 Ave N Shift Values>> N :: 120.17(4.64) 1.K14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 R 0.36 K 0.22 G 0.02 C Shift Assignments>> C :: 174.523 CA :: 56.695 CB :: 34.840 CG :: 26.406 CD :: 28.750 CE :: 42.812 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.661 HA :: 4.413 HB2 :: 1.715 HB3 :: 1.595 HG2 :: 1.629 HG3 :: 1.332 HD2 :: 1.819 HD3 :: 1.571 HE2 :: 2.974 HE3 :: 2.924 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.527 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.36 K 0.16 G 0.01 C Shift Assignments>> C :: 174.446 CA :: 55.806 CB :: 34.975 CG :: 26.930 CD :: 29.724 CE :: 42.349 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.335 HA :: 4.045 HB2 :: 2.136 HB3 :: 1.555 HG2 :: 1.615 HG3 :: 1.143 HD2 :: 1.686 HD3 :: 1.596 HE2 :: 2.952 HE3 :: 2.952 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.000 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Y16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.67 C 0.32 C Shift Assignments>> C :: 176.146 CA :: 59.985 CB :: 39.182 CD1 :: 133.203 CD2 :: 133.203 CE1 :: 118.160 CE2 :: 118.160 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 9.183 HA :: 3.609 HB2 :: 2.748 HB3 :: 2.602 HD1 :: 6.809 HD2 :: 6.809 HE1 :: 7.121 HE2 :: 7.121 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 118.242 Ave N Shift Values>> N :: 120.52(4.2) 1.D17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 F 0.21 Y 0.19 L 0.16 C 0.11 K 0.01 C Shift Assignments>> C :: 174.793 CA :: 55.382 CB :: 39.934 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 9.185 HA :: 4.089 HB2 :: 2.911 HB3 :: 2.510 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 123.164 Ave N Shift Values>> N :: 120.65(3.86) 1.V18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.67 C 0.32 C Shift Assignments>> C :: 175.615 CA :: 62.527 CB :: 31.705 CG1 :: 22.655 CG2 :: 21.259 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.873 HA :: 3.969 HB :: 2.278 HG11 :: 0.825 HG12 :: 0.825 HG13 :: 0.825 HG21 :: 1.157 HG22 :: 1.157 HG23 :: 1.157 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.230 Ave N Shift Values>> N :: 121.14(4.54) 1.E19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.43 C 0.37 K 0.11 Q 0.06 C Shift Assignments>> C :: 175.883 CA :: 57.427 CB :: 29.543 CG :: 36.243 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.437 HA :: 4.851 HB2 :: 2.030 HB3 :: 1.989 HG2 :: 2.480 HG3 :: 2.298 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 126.328 Ave N Shift Values>> N :: 120.67(3.48) 1.C20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 L 0.14 C 0.03 D 0.01 HN Overlap>> 1.S45 1.S45 C Shift Assignments>> C :: 172.746 CA :: 53.849 CB :: 45.604 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.357 HA :: 4.920 HB2 :: 3.303 HB3 :: 2.938 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 117.715 Ave N Shift Values>> N :: 120.17(4.64) 1.D21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.24 D 0.22 L 0.13 R 0.06 Q 0.06 C 0.06 K 0.05 W 0.04 F 0.03 E 0.03 Y 0.02 C Shift Assignments>> C :: 175.903 CA :: 53.839 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.077 HA :: 4.780 HB2 :: 2.926 HB3 :: 2.685 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.297 Ave N Shift Values>> N :: 120.65(3.86) 1.S22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.610 CA :: 59.986 CB :: 63.377 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.477 HA :: 4.066 HB2 :: 3.823 HB3 :: 3.808 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 113.751 Ave N Shift Values>> N :: 116.28(3.52) 1.G23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> C :: 175.341 CA :: 45.625 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.666 HA2 :: 4.188 HA3 :: 3.897 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.441 Ave N Shift Values>> N :: 109.67(3.87) 1.E24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.71 E 0.27 C Shift Assignments>> CA :: 56.875 CB :: 32.969 CG :: 36.719 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.852 HA :: 4.320 HB2 :: 2.180 HB3 :: 2.180 HG2 :: 2.262 HG3 :: 2.203 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 115.429 Ave N Shift Values>> N :: 120.67(3.48) 1.C25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> F 0.26 Y 0.24 D 0.19 L 0.14 C 0.12 K 0.02 C Shift Assignments>> C :: 175.605 CA :: 56.417 CB :: 40.007 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> HA :: 4.880 HB2 :: 2.923 HB3 :: 2.865 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) 1.C26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.25 F 0.24 D 0.21 C 0.17 L 0.09 E 0.01 C Shift Assignments>> C :: 172.335 CA :: 55.441 CB :: 38.977 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.987 HA :: 4.569 HB2 :: 3.473 HB3 :: 2.275 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 122.988 Ave N Shift Values>> N :: 120.17(4.64) 1.Q27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 K 0.22 Q 0.22 E 0.16 R 0.01 C Shift Assignments>> C :: 178.958 CA :: 59.397 CB :: 29.134 CG :: 34.519 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.129 HA :: 4.156 HB2 :: 2.106 HB3 :: 2.056 HG2 :: 2.546 HG3 :: 2.546 HE21 :: 7.753 HE22 :: 6.836 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.472 NE2 :: 112.265 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K28 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.64 R 0.34 G 0.01 C Shift Assignments>> C :: 174.506 CA :: 54.717 CB :: 40.222(S) CG :: 25.475 CD :: 30.169 CE :: 41.872 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.945 HA :: 5.398 HB2 :: 1.916 HB3 :: 1.596 HG2 :: 1.327 HG3 :: 1.327 HD2 :: 1.340 HD3 :: 1.421 HE2 :: 2.779 HE3 :: 2.630 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 111.211 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.79 Q 0.18 E 0.01 C Shift Assignments>> C :: 173.392 CA :: 54.499 CB :: 32.993 CG :: 32.969 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 9.096 HA :: 5.273 HB2 :: 2.198 HB3 :: 1.429 HG2 :: 2.437 HG3 :: 1.820 HE21 :: 7.334 HE22 :: 6.970 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.527 NE2 :: 107.578 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Y30 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.61 Y 0.37 C Shift Assignments>> C :: 173.213 CA :: 58.018 CB :: 35.574 CD1 :: 132.383 CD2 :: 132.383 CE1 :: 116.797 CE2 :: 116.797 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.378 HA :: 3.824 HB2 :: 2.350 HB3 :: 0.279(S) HD1 :: 5.519(S) HD2 :: 5.519(S) HE1 :: 6.301 HE2 :: 6.301 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 130.371 Ave N Shift Values>> N :: 120.52(4.2) 1.L31 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.52 L 0.25 C 0.16 A 0.04 C Shift Assignments>> C :: 174.716 CA :: 52.890 CB :: 46.322 CG :: 25.938 CD1 :: 24.531 CD2 :: 23.594 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.015 HA :: 3.855 HB2 :: 0.545 HB3 :: 0.142(S) HG :: 0.234(S) HD11 :: -0.049 HD12 :: -0.049 HD13 :: -0.049 HD21 :: -0.285(S) HD22 :: -0.285(S) HD23 :: -0.285(S) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 132.129 Ave N Shift Values>> N :: 121.86(3.9) 1.W32 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.99 C Shift Assignments>> C :: 176.444 CA :: 57.808 CB :: 24.551 CD1 :: 125.963 CE3 :: 120.004 CZ2 :: 114.077 CZ3 :: 121.607 CH2 :: 118.252(S) Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.835 HA :: 3.674 HB2 :: 3.239 HB3 :: 2.922 HD1 :: 6.982 HE1 :: 9.916 HE3 :: 7.007 HZ2 :: 7.124 HZ3 :: 6.764 HH2 :: 6.870 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 126.855 NE1 :: 129.375 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.Y33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 Y 0.37 C Shift Assignments>> C :: 173.802 CA :: 59.804 CB :: 35.213 CD1 :: 133.223 CD2 :: 133.223 CE1 :: 117.891 CE2 :: 117.891 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.021 HA :: 3.441 HB2 :: 3.259 HB3 :: 3.115 HD1 :: 7.029 HD2 :: 7.029 HE1 :: 6.812 HE2 :: 6.812 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 109.453 Ave N Shift Values>> N :: 120.52(4.2) 1.K34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 R 0.24 K 0.18 G 0.01 C Shift Assignments>> C :: 174.545 CA :: 55.268 CB :: 37.142 CG :: 25.000 CD :: 29.681 CE :: 42.274 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 6.799 HA :: 4.415 HB2 :: 1.705 HB3 :: 1.563 HG2 :: 1.428 HG3 :: 1.428 HD2 :: 1.689 HD3 :: 1.689 HE2 :: 3.072 HE3 :: 3.072 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 116.660 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.W35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.51 C 0.48 C Shift Assignments>> C :: 176.720 CA :: 58.264 CB :: 29.346 CD1 :: 127.315 CE3 :: 118.711 CZ2 :: 115.430 CZ3 :: 121.967 CH2 :: 124.561 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.786 HA :: 4.565 HB2 :: 3.210 HB3 :: 2.882 HD1 :: 7.472 HE1 :: 10.121 HE3 :: 7.047 HZ2 :: 7.425 HZ3 :: 6.660 HH2 :: 6.915 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 122.637 NE1 :: 130.078 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.R36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.4 C 0.31 K 0.15 G 0.13 C Shift Assignments>> CA :: 53.125 CB :: 31.094 CG :: 28.750 CD :: 43.281 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 9.128 HA :: 5.133 HB2 :: 1.963 HB3 :: 1.637 HG2 :: 1.750 HG3 :: 1.617 HD2 :: 3.562 HD3 :: 2.793 HE :: 7.398 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 125.976 NE :: 88.186 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.P37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.57 C 0.42 C Shift Assignments>> C :: 175.961 CA :: 62.020 CB :: 32.149 CG :: 27.813 CD :: 51.250 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 5.364 HB2 :: 2.380 HB3 :: 1.979 HG2 :: 2.335 HG3 :: 1.986 HD2 :: 4.022 HD3 :: 3.922 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.L38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.61 L 0.16 C 0.14 A 0.07 C Shift Assignments>> C :: 177.828 CA :: 52.488 CB :: 45.969 CG :: 27.344 CD1 :: 26.406 CD2 :: 23.125 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.047 HA :: 5.613 HB2 :: 2.423 HB3 :: 1.010 HG :: 1.514 HD11 :: 0.941 HD12 :: 0.941 HD13 :: 0.941 HD21 :: 0.714 HD22 :: 0.714 HD23 :: 0.714 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 116.660 Ave N Shift Values>> N :: 121.86(3.9) 1.D39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.68 L 0.18 R 0.04 C 0.03 D 0.03 C Shift Assignments>> C :: 173.855 CA :: 53.115 CB :: 44.870 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 9.136 HA :: 4.665 HB2 :: 2.740 HB3 :: 2.388 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 117.187 Ave N Shift Values>> N :: 120.65(3.86) 1.C40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.29 F 0.26 C 0.18 D 0.14 L 0.07 E 0.02 C Shift Assignments>> C :: 173.638 CA :: 56.149 CB :: 38.887 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.704 HA :: 4.645 HB2 :: 3.010 HB3 :: 2.877 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 122.812 Ave N Shift Values>> N :: 120.17(4.64) 1.R41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.41 C 0.32 K 0.22 G 0.04 C Shift Assignments>> C :: 175.082 CA :: 54.050 CB :: 32.462 CG :: 26.410 CD :: 42.809 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.742 HA :: 4.686 HB2 :: 1.826 HB3 :: 1.731 HG2 :: 1.639 HG3 :: 1.444 HD2 :: 3.211 HD3 :: 3.139 HE :: 7.519 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 131.953 NE :: 84.436 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.C42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.33 G 0.28 R 0.2 C 0.06 D 0.05 F 0.04 Y 0.02 C Shift Assignments>> C :: 174.439 CA :: 55.531 CB :: 44.384 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.945 HA :: 5.216 HB2 :: 2.918 HB3 :: 2.833 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 123.340 Ave N Shift Values>> N :: 120.17(4.64) 1.L43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.61 C 0.21 G 0.1 R 0.04 A 0.02 C Shift Assignments>> C :: 176.723 CA :: 54.458 CB :: 43.516 CG :: 26.912 CD1 :: 25.072 CD2 :: 23.623 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.722 HA :: 4.544 HB2 :: 1.755 HB3 :: 1.591 HG :: 1.676 HD11 :: 0.850 HD12 :: 0.850 HD13 :: 0.850 HD21 :: 0.843 HD22 :: 0.843 HD23 :: 0.843 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 125.976 Ave N Shift Values>> N :: 121.86(3.9) 1.K44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.49 C 0.41 R 0.08 C Shift Assignments>> C :: 176.254 CA :: 56.395 CB :: 33.171 CG :: 24.961 CD :: 29.176 CE :: 41.875 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.577 HA :: 4.521 HB2 :: 1.875 HB3 :: 1.714 HG2 :: 1.455 HG3 :: 1.369 HD2 :: 1.640 HD3 :: 1.570 HE2 :: 2.948 HE3 :: 2.948 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 122.285 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.C20 1.C20 C Shift Assignments>> C :: 174.264 CA :: 57.318 CB :: 64.221 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.254 HA :: 4.562 HB2 :: 3.811 HB3 :: 3.701 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 117.715 Ave N Shift Values>> N :: 116.28(3.52) 1.G46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.84 L 0.09 C 0.02 R 0.01 C Shift Assignments>> C :: 174.068 CA :: 45.310 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.405 HA2 :: 3.960 HA3 :: 3.746 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.386 Ave N Shift Values>> N :: 109.67(3.87) 1.F47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 F 0.49 C Shift Assignments>> C :: 176.313 CA :: 58.892 CB :: 39.249 CD1 :: 133.323 CD2 :: 133.323 CE1 :: 131.621 CE2 :: 131.621 CZ :: 129.505 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.362 HA :: 4.364 HB2 :: 2.836 HB3 :: 2.714 HD1 :: 7.008 HD2 :: 7.008 HE1 :: 7.390 HE2 :: 7.390 HZ :: 7.366 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 120.703 Ave N Shift Values>> N :: 120.45(4.18) 1.F48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.42 Y 0.36 C 0.2 HN Overlap>> 1.S50 1.S50 C Shift Assignments>> C :: 175.325 CA :: 57.687 CB :: 39.669 CD1 :: 131.562 CD2 :: 131.562 CE1 :: 131.289 CE2 :: 131.289 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.316 HA :: 4.670 HB2 :: 3.336 HB3 :: 3.007 HD1 :: 7.280 HD2 :: 7.280 HE1 :: 7.006 HE2 :: 7.006 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 117.363 Ave N Shift Values>> N :: 120.45(4.18) 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 :: 174.190 CA :: 58.441 CB :: 64.234 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.831 HA :: 4.498 HB2 :: 3.822 HB3 :: 3.825 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.726 Ave N Shift Values>> N :: 116.28(3.52) 1.S50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.F48 1.F48 C Shift Assignments>> C :: 173.200 CA :: 58.394 CB :: 64.843 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.396 HA :: 4.682 HB2 :: 3.799 HB3 :: 3.770 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 117.363 Ave N Shift Values>> N :: 116.28(3.52) 1.K51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.52 C 0.4 R 0.06 C Shift Assignments>> C :: 175.239 CA :: 55.759 CB :: 34.450 CG :: 24.538 CD :: 29.219 CE :: 42.036 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.453 HA :: 4.528 HB2 :: 1.781 HB3 :: 1.741 HG2 :: 1.350 HG3 :: 1.296 HD2 :: 1.565 HD3 :: 1.565 HE2 :: 2.838 HE3 :: 2.838 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 122.812 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.C52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.65 C 0.2 L 0.13 C Shift Assignments>> C :: 174.345 CA :: 55.786 CB :: 47.500 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.828 HA :: 5.525 HB2 :: 3.493 HB3 :: 2.677 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 124.922 Ave N Shift Values>> N :: 120.17(4.64) 1.V53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.94 V 0.04 A 0.01 C Shift Assignments>> C :: 176.396 CA :: 59.190 CB :: 37.293 CG1 :: 21.935 CG2 :: 18.750 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.625 HA :: 5.011 HB :: 1.558 HG11 :: 0.617 HG12 :: 0.617 HG13 :: 0.617 HG21 :: 0.668 HG22 :: 0.668 HG23 :: 0.668 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 117.187 Ave N Shift Values>> N :: 121.14(4.54) 1.C54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 F 0.19 L 0.18 Y 0.17 C 0.1 K 0.03 C Shift Assignments>> C :: 175.637 CA :: 55.432 CB :: 40.268 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.072 HA :: 5.012 HB2 :: 3.416 HB3 :: 2.515 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 120.703 Ave N Shift Values>> N :: 120.17(4.64) 1.R55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 K 0.2 R 0.13 G 0.11 C Shift Assignments>> C :: 174.029 CA :: 53.194 CB :: 35.049 CG :: 26.416 CD :: 42.802 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 9.378 HA :: 4.853 HB2 :: 2.087 HB3 :: 1.681 HG2 :: 1.707 HG3 :: 1.640 HD2 :: 3.202 HD3 :: 3.097 HE :: 7.228 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 124.922 NE :: 83.967 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.D56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.44 L 0.15 F 0.14 Y 0.12 C 0.12 C Shift Assignments>> C :: 175.192 CA :: 53.525 CB :: 39.655 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 9.693 HA :: 5.244 HB2 :: 2.747 HB3 :: 2.303 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 117.011 Ave N Shift Values>> N :: 120.65(3.86) 1.V57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.65 C 0.34 C Shift Assignments>> CA :: 62.968 CB :: 33.906 CG1 :: 19.844 CG2 :: 22.188 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.849 HA :: 4.183 HB :: 2.149 HG11 :: 0.735 HG12 :: 0.735 HG13 :: 0.735 HG21 :: 0.872 HG22 :: 0.872 HG23 :: 0.872 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 123.164 Ave N Shift Values>> N :: 121.14(4.54) ########################################################################### Overall Results: #Consistent: 53 #Clerical: 0 #Suspicious: 4 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 57 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 57 #Suspicious: 0 C Shift Results: #Consistent: 243 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 0 H Shift Results: #Consistent: 366 #Duplicate: 0 #Unknown: 0 #Suspicious: 8 #Anomalous: 0 N Shift Results: #Consistent: 60 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.K28 CB = 40.222(S), Expected = 32.79, Std = 1.7800, ChiSquare = 2.9762e-05 1.Y30 HB3 = 0.279(S), Expected = 2.84, Std = 0.3900, ChiSquare = 5.1454e-11 1.Y30 HD1 = 5.519(S), Expected = 6.93, Std = 0.3000, ChiSquare = 2.5595e-06 1.Y30 HD2 = 5.519(S), Expected = 6.93, Std = 0.3000, ChiSquare = 2.5595e-06 1.L31 HB3 = 0.142(S), Expected = 1.52, Std = 0.3600, ChiSquare = 1.2931e-04 1.L31 HG = 0.234(S), Expected = 1.51, Std = 0.3300, ChiSquare = 1.1033e-04 1.L31 HD21 = -0.285(S), Expected = 0.73, Std = 0.2900, ChiSquare = 4.6526e-04 1.L31 HD22 = -0.285(S), Expected = 0.73, Std = 0.2900, ChiSquare = 4.6526e-04 1.L31 HD23 = -0.285(S), Expected = 0.73, Std = 0.2900, ChiSquare = 4.6526e-04 1.W32 CH2 = 118.252(S), Expected = 123.86, Std = 1.4200, ChiSquare = 7.8381e-05