Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 175.186 CA :: 58.753 CB :: 63.979 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> HA :: 4.526 HB2 :: 3.927 HB3 :: 3.927 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) 1.G7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.08 R 0.02 C Shift Assignments>> C :: 174.517 CA :: 45.588 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.512 HA2 :: 4.027 HA3 :: 3.973 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.921 Ave N Shift Values>> N :: 109.91(4.29) 1.Q8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.34 K 0.31 E 0.15 M 0.1 R 0.06 C Shift Assignments>> C :: 176.227 CA :: 56.203 CB :: 29.338 CG :: 33.780 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 :: 8.246 HA :: 4.276 HB2 :: 2.061 HB3 :: 1.937 HG2 :: 2.299 HG3 :: 2.299 HE21 :: 7.491 HE22 :: 6.836 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 :: 119.847 NE2 :: 112.234 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.E9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.56 I 0.13 K 0.13 M 0.09 Q 0.06 C Shift Assignments>> C :: 176.711 CA :: 57.597 CB :: 29.870 CG :: 36.330 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 :: 8.643 HA :: 4.134 HB2 :: 1.926 HB3 :: 1.884 HG2 :: 2.202 HG3 :: 2.138 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 :: 121.514 Ave N Shift Values>> N :: 120.68(3.68) 1.Y10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 175.830 CA :: 58.222 CB :: 38.555 CD1 :: 133.050 CD2 :: 133.050 CE1 :: 118.238 CE2 :: 118.238 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 :: 8.075 HA :: 4.529 HB2 :: 3.046 HB3 :: 2.929 HD1 :: 7.083 HD2 :: 7.083 HE1 :: 6.783 HE2 :: 6.783 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 :: 120.735 Ave N Shift Values>> N :: 120.79(4.69) 1.I11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 176.794 CA :: 61.543 CB :: 38.405 CG1 :: 27.570 CG2 :: 17.620 CD1 :: 12.759 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 :: 7.831 HA :: 3.978 HB :: 1.812 HG12 :: 1.423 HG13 :: 1.134 HG21 :: 0.854 HG22 :: 0.854 HG23 :: 0.854 HD11 :: 0.829 HD12 :: 0.829 HD13 :: 0.829 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 :: 121.910 Ave N Shift Values>> N :: 121.6(4.72) 1.L12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.88 R 0.09 G 0.01 C Shift Assignments>> C :: 177.714 CA :: 56.194 CB :: 41.978 CG :: 27.046 CD1 :: 24.762 CD2 :: 23.756 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 :: 8.105 HA :: 4.102 HB2 :: 1.620 HB3 :: 1.525 HG :: 1.598 HD11 :: 0.872 HD12 :: 0.872 HD13 :: 0.872 HD21 :: 0.808 HD22 :: 0.808 HD23 :: 0.808 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 :: 124.948 Ave N Shift Values>> N :: 121.98(4.07) 1.A13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.68 M 0.29 C Shift Assignments>> C :: 178.031 CA :: 53.369 CB :: 18.887 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.056 HA :: 4.183 HB1 :: 1.372 HB2 :: 1.372 HB3 :: 1.372 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.876 Ave N Shift Values>> N :: 123.23(3.7) 1.L14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.82 R 0.09 A 0.04 G 0.03 C Shift Assignments>> C :: 176.830 CA :: 54.764 CB :: 42.371 CG :: 26.954 CD1 :: 25.036 CD2 :: 23.107 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 :: 7.717 HA :: 4.306 HB2 :: 1.596 HB3 :: 1.596 HG :: 1.581 HD11 :: 0.868 HD12 :: 0.868 HD13 :: 0.868 HD21 :: 0.819 HD22 :: 0.819 HD23 :: 0.819 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 :: 118.970 Ave N Shift Values>> N :: 121.98(4.07) 1.A15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.76 M 0.17 L 0.04 C Shift Assignments>> C :: 175.878 CA :: 52.091 CB :: 20.558 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.727 HA :: 4.447 HB1 :: 1.349 HB2 :: 1.349 HB3 :: 1.349 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.397 Ave N Shift Values>> N :: 123.23(3.7) 1.D16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.34 R 0.2 G 0.19 D 0.15 K 0.03 F 0.02 N 0.02 Y 0.01 C Shift Assignments>> C :: 175.939 CA :: 52.877 CB :: 43.545 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 :: 8.642 HA :: 4.824 HB2 :: 2.774 HB3 :: 2.544 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.120 Ave N Shift Values>> N :: 120.73(4.2) 1.V17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.92 I 0.04 A 0.02 C Shift Assignments>> C :: 172.998 CA :: 59.770 CB :: 30.172 CG1 :: 21.463 CG2 :: 17.880 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 :: 8.062 HA :: 4.437 HB :: 1.772 HG11 :: 0.630 HG12 :: 0.630 HG13 :: 0.630 HG21 :: 0.812 HG22 :: 0.812 HG23 :: 0.812 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 :: 112.134 Ave N Shift Values>> N :: 121.02(4.96) 1.P18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> CA :: 62.405 CB :: 33.416 CG :: 28.351 CD :: 50.321 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 :: 4.256 HB2 :: 2.375 HB3 :: 2.041 HG2 :: 1.745 HG3 :: 1.480 HD2 :: 3.631 HD3 :: 3.118 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.S19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 58.353 CB :: 63.817 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.295 HA :: 4.640 HB2 :: 4.510 HB3 :: 3.991 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 :: 113.871 Ave N Shift Values>> N :: 116.3(3.95) 1.S20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 57.305 CB :: 63.586 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.617 HA :: 4.776 HB2 :: 3.766 HB3 :: 3.713 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 :: 114.326 Ave N Shift Values>> N :: 116.3(3.95) 1.P21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> CA :: 62.844 CB :: 32.112 CG :: 28.602 CD :: 50.844 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 :: 4.527 HB2 :: 2.441 HB3 :: 1.317 HG2 :: 1.640 HG3 :: 1.591 HD2 :: 3.720 HD3 :: 3.720 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.Y22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> CA :: 55.775 CB :: 39.082 CD1 :: 133.826 CD2 :: 133.826 CE1 :: 119.004 CE2 :: 119.004 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 :: 7.213 HA :: 5.144 HB2 :: 3.177 HB3 :: 3.093 HD1 :: 7.105 HD2 :: 7.105 HE1 :: 6.852 HE2 :: 6.852 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 :: 113.521 Ave N Shift Values>> N :: 120.79(4.69) 1.G23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.9 L 0.04 A 0.02 P 0.01 C Shift Assignments>> C :: 174.851 CA :: 47.236 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.108 HA2 :: 3.952 HA3 :: 3.794 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.361 Ave N Shift Values>> N :: 109.91(4.29) 1.V24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 176.260 CA :: 63.549 CB :: 31.117 CG1 :: 21.053 CG2 :: 21.457 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 :: 7.741 HA :: 4.279 HB :: 2.169 HG11 :: 0.885 HG12 :: 0.885 HG13 :: 0.885 HG21 :: 0.734 HG22 :: 0.734 HG23 :: 0.734 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 :: 119.135 Ave N Shift Values>> N :: 121.02(4.96) 1.K25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.64 R 0.26 M 0.03 G 0.03 A 0.01 C Shift Assignments>> C :: 173.857 CA :: 54.886 CB :: 36.256 CG :: 24.130 CD :: 29.104 CE :: 42.093 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 :: 9.260 HA :: 4.578 HB2 :: 1.654 HB3 :: 1.564 HG2 :: 1.285 HG3 :: 1.285 HD2 :: 1.581 HD3 :: 1.581 HE2 :: 2.883 HE3 :: 2.883 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 :: 127.695 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.I26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.93 M 0.04 A 0.01 C Shift Assignments>> C :: 176.717 CA :: 59.494 CB :: 35.750 CG1 :: 28.085 CG2 :: 19.648 CD1 :: 12.144 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 :: 8.710 HA :: 4.609 HB :: 1.902 HG12 :: 1.184 HG13 :: 0.903 HG21 :: 0.419 HG22 :: 0.419 HG23 :: 0.419 HD11 :: 0.388 HD12 :: 0.388 HD13 :: 0.388 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 124.041 Ave N Shift Values>> N :: 121.6(4.72) 1.I27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 175.267 CA :: 61.048 CB :: 39.943 CG1 :: 26.311 CG2 :: 18.377 CD1 :: 13.425 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 :: 8.651 HA :: 4.435 HB :: 1.962 HG12 :: 1.165 HG13 :: 0.884 HG21 :: 0.839 HG22 :: 0.839 HG23 :: 0.839 HD11 :: 0.769 HD12 :: 0.769 HD13 :: 0.769 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 122.151 Ave N Shift Values>> N :: 121.6(4.72) 1.E28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.59 M 0.31 I 0.04 K 0.02 Q 0.01 HN Overlap>> 1.K97 1.K97 C Shift Assignments>> C :: 174.366 CA :: 56.418 CB :: 31.786 CG :: 36.737 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 :: 7.762 HA :: 4.242 HB2 :: 1.906 HB3 :: 1.818 HG2 :: 2.202 HG3 :: 2.129 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 :: 118.671 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>> G 0.57 L 0.4 R 0.01 C Shift Assignments>> C :: 175.657 CA :: 55.394 CB :: 45.833 CG :: 27.164 CD1 :: 25.891 CD2 :: 25.010 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 :: 8.318 HA :: 4.667 HB2 :: 1.681 HB3 :: 1.450 HG :: 1.627 HD11 :: 1.041 HD12 :: 1.041 HD13 :: 1.041 HD21 :: 1.087 HD22 :: 1.087 HD23 :: 1.087 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 :: 123.658 Ave N Shift Values>> N :: 121.98(4.07) 1.S30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.683 CA :: 56.807 CB :: 65.136 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.700 HA :: 4.817 HB2 :: 4.173 HB3 :: 3.931 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 :: 121.790 Ave N Shift Values>> N :: 116.3(3.95) 1.Q31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.34 K 0.21 I 0.2 Q 0.18 M 0.03 R 0.02 C Shift Assignments>> C :: 175.766 CA :: 60.157 CB :: 29.142 CG :: 34.971 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 :: 8.391 HA :: 4.654 HB2 :: 2.364 HB3 :: 1.887 HG2 :: 2.533 HG3 :: 2.355 HE21 :: 7.406 HE22 :: 7.084 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 :: 120.097 NE2 :: 111.919 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.T32 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> T 0.99 C Shift Assignments>> C :: 174.396 CA :: 60.138 CB :: 71.592 CG2 :: 21.164 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 :: 7.428 HA :: 4.638 HB :: 4.591 HG21 :: 1.128 HG22 :: 1.128 HG23 :: 1.128 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 :: 97.846(S) Ave N Shift Values>> N :: 115.7(5.05) 1.T33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.94 A 0.05 C Shift Assignments>> C :: 171.846 CA :: 59.066 CB :: 73.456 CG2 :: 21.658 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 :: 7.268 HA :: 5.367 HB :: 4.081 HG21 :: 1.145 HG22 :: 1.145 HG23 :: 1.145 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 :: 112.024 Ave N Shift Values>> N :: 115.7(5.05) 1.A34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 A 0.17 M 0.11 K 0.1 R 0.01 C Shift Assignments>> C :: 174.739 CA :: 51.565 CB :: 23.221 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.316 HA :: 4.644 HB1 :: 0.810 HB2 :: 0.810 HB3 :: 0.810 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.959 Ave N Shift Values>> N :: 123.23(3.7) 1.K35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.59 R 0.36 M 0.03 G 0.01 C Shift Assignments>> C :: 173.952 CA :: 55.523 CB :: 34.987 CG :: 25.448 CD :: 29.538 CE :: 41.846 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 :: 8.434 HA :: 4.932 HB2 :: 1.614 HB3 :: 1.589 HG2 :: 1.165 HG3 :: 1.094 HD2 :: 1.648 HD3 :: 1.331 HE2 :: 2.774 HE3 :: 2.774 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 :: 121.346 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.V36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 173.887 CA :: 60.045 CB :: 34.308 CG1 :: 21.317 CG2 :: 21.284 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 :: 8.957 HA :: 4.794 HB :: 1.916 HG11 :: 0.729 HG12 :: 0.729 HG13 :: 0.729 HG21 :: 0.868 HG22 :: 0.868 HG23 :: 0.868 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 125.925 Ave N Shift Values>> N :: 121.02(4.96) 1.S37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.91 T 0.08 C Shift Assignments>> C :: 172.684 CA :: 55.661 CB :: 66.403 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.094 HA :: 5.165 HB2 :: 3.645 HB3 :: 3.475 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 :: 120.501 Ave N Shift Values>> N :: 116.3(3.95) 1.F38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.53 F 0.46 C Shift Assignments>> C :: 172.799 CA :: 55.484 CB :: 39.576 CD1 :: 131.790 CD2 :: 131.790 CE1 :: 129.179 CE2 :: 129.179 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 :: 7.075 HA :: 4.734 HB2 :: 3.041 HB3 :: 2.722 HD1 :: 6.433 HD2 :: 6.433 HE1 :: 6.364 HE2 :: 6.364 HZ :: 5.806 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 :: 116.980 Ave N Shift Values>> N :: 120.69(4.18) 1.N39 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> N 0.52 D 0.29 L 0.06 Y 0.05 F 0.05 C Shift Assignments>> C :: 174.426 CA :: 51.970 CB :: 39.535 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 :: 8.709 HA :: 4.730 HB2 :: 2.024 HB3 :: 1.270(S) HD21 :: 6.926 HD22 :: 6.444 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 :: 115.925 ND2 :: 113.422 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.K40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.47 R 0.26 M 0.17 A 0.06 G 0.02 C Shift Assignments>> C :: 173.176 CA :: 54.111 CB :: 32.244 CG :: 23.049 CD :: 29.557 CE :: 42.131 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 :: 8.251 HA :: 4.498 HB2 :: 1.882 HB3 :: 1.714 HG2 :: 1.569 HG3 :: 1.451 HD2 :: 1.734 HD3 :: 1.734 HE2 :: 3.057 HE3 :: 3.057 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 :: 121.002 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.P41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 176.481 CA :: 62.315 CB :: 33.452 CG :: 28.354 CD :: 50.983 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 :: 4.253 HB2 :: 2.211 HB3 :: 1.740 HG2 :: 1.878 HG3 :: 1.758 HD2 :: 3.859 HD3 :: 3.859 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.D42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.19 L 0.18 D 0.17 K 0.17 Y 0.16 N 0.03 R 0.03 I 0.02 C Shift Assignments>> C :: 176.470 CA :: 56.423 CB :: 40.870 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 :: 8.729 HA :: 4.504 HB2 :: 2.718 HB3 :: 2.480 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.380 Ave N Shift Values>> N :: 120.73(4.2) 1.S43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.404 CA :: 56.137 CB :: 64.531 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.868 HA :: 4.766 HB2 :: 3.714 HB3 :: 3.714 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 111.810 Ave N Shift Values>> N :: 116.3(3.95) 1.H44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> H 0.51 W 0.48 C Shift Assignments>> CA :: 55.644 CB :: 30.132 CD2 :: 119.539 CE1 :: 138.607 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>> HA :: 4.531 HB2 :: 3.576 HB3 :: 3.072 HD2 :: 6.874 HE1 :: 7.686 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) 1.G45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.09 R 0.02 C Shift Assignments>> CA :: 45.461 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.909 HA2 :: 3.938 HA3 :: 3.456 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.784 Ave N Shift Values>> N :: 109.91(4.29) 1.G46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.83 L 0.1 R 0.04 C Shift Assignments>> CA :: 45.254 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.177 HA2 :: 4.352 HA3 :: 3.678 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.176 Ave N Shift Values>> N :: 109.91(4.29) 1.V47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.91 A 0.06 I 0.01 C Shift Assignments>> CA :: 58.478 CB :: 33.301 CG1 :: 22.662 CG2 :: 19.478 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 :: 7.250 HA :: 4.538 HB :: 2.168 HG11 :: 0.875 HG12 :: 0.875 HG13 :: 0.875 HG21 :: 0.702 HG22 :: 0.702 HG23 :: 0.702 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 :: 115.267 Ave N Shift Values>> N :: 121.02(4.96) 1.P48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.702 CA :: 63.326 CB :: 32.408 CG :: 27.724 CD :: 50.569 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 :: 4.108 HB2 :: 2.203 HB3 :: 1.716 HG2 :: 1.978 HG3 :: 1.829 HD2 :: 3.593 HD3 :: 3.497 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.I49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 175.059 CA :: 63.430 CB :: 38.846 CG1 :: 30.096 CG2 :: 16.973 CD1 :: 13.518 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 :: 8.405 HA :: 3.381 HB :: 1.546 HG12 :: 1.840 HG13 :: 0.760 HG21 :: 0.354 HG22 :: 0.354 HG23 :: 0.354 HD11 :: 0.846 HD12 :: 0.846 HD13 :: 0.846 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 :: 121.881 Ave N Shift Values>> N :: 121.6(4.72) 1.H50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.5 H 0.47 Y 0.01 C Shift Assignments>> C :: 174.373 CA :: 57.990 CB :: 32.269 CD2 :: 119.278 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 :: 9.363 HA :: 4.467 HB2 :: 3.012 HB3 :: 2.902 HD2 :: 7.041 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 :: 126.398 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.H51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.5 W 0.49 C Shift Assignments>> C :: 170.839 CA :: 55.905 CB :: 30.025 CD2 :: 119.778 CE1 :: 137.657 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 :: 7.419 HA :: 4.491 HB2 :: 3.387 HB3 :: 3.249 HD2 :: 6.745 HE1 :: 7.876 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 :: 110.914 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.Y52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 174.512 CA :: 56.960 CB :: 41.364 CD1 :: 133.709 CD2 :: 133.709 CE1 :: 117.224 CE2 :: 117.224 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 :: 8.986 HA :: 5.095 HB2 :: 2.662 HB3 :: 2.597 HD1 :: 6.951 HD2 :: 6.951 HE1 :: 6.561 HE2 :: 6.561 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 :: 115.517 Ave N Shift Values>> N :: 120.79(4.69) 1.Q53 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> M 0.59 E 0.26 Q 0.11 K 0.01 C Shift Assignments>> C :: 173.164 CA :: 54.935 CB :: 32.670 CG :: 35.172 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 :: 9.574 HA :: 5.023 HB2 :: 1.841 HB3 :: 1.808 HG2 :: 2.390 HG3 :: 2.101 HE21 :: 9.317(A) HE22 :: 6.704 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 :: 123.436 NE2 :: 116.096 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.V54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 173.045 CA :: 61.166 CB :: 33.079 CG1 :: 21.935 CG2 :: 21.702 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 :: 9.381 HA :: 4.625 HB :: 2.109 HG11 :: 0.866 HG12 :: 0.866 HG13 :: 0.866 HG21 :: 0.818 HG22 :: 0.818 HG23 :: 0.818 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 :: 127.040 Ave N Shift Values>> N :: 121.02(4.96) 1.D55 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> D 0.39 N 0.22 L 0.18 K 0.07 F 0.04 Y 0.03 R 0.02 C Shift Assignments>> C :: 175.308 CA :: 51.731 CB :: 41.364 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 :: 8.918 HA :: 5.839(S) HB2 :: 2.432 HB3 :: 2.045 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 :: 128.821 Ave N Shift Values>> N :: 120.73(4.2) 1.V56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.81 I 0.12 A 0.06 C Shift Assignments>> C :: 174.666 CA :: 59.006 CB :: 35.983 CG1 :: 19.672 CG2 :: 21.970 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 :: 9.628 HA :: 5.869 HB :: 1.977 HG11 :: 0.947 HG12 :: 0.947 HG13 :: 0.947 HG21 :: 0.961 HG22 :: 0.961 HG23 :: 0.961 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 :: 121.085 Ave N Shift Values>> N :: 121.02(4.96) 1.K57 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> A 0.94 M 0.03 K 0.01 C Shift Assignments>> C :: 174.659 CA :: 55.424 CB :: 37.017 CG :: 20.675 CD :: 27.965 CE :: 40.846 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 :: 9.019 HA :: 4.771 HB2 :: 1.316 HB3 :: 1.037 HG2 :: 0.506 HG3 :: -0.051(S) HD2 :: 0.293(A) HD3 :: -0.911(A) HE2 :: 2.170(S) HE3 :: 1.562(S) Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 124.915 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.58 I 0.19 K 0.15 Q 0.03 M 0.03 C Shift Assignments>> C :: 178.871 CA :: 56.938 CB :: 28.841 CG :: 36.767 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 :: 9.023 HA :: 4.024 HB2 :: 1.844 HB3 :: 1.643 HG2 :: 2.065 HG3 :: 1.976 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 124.584 Ave N Shift Values>> N :: 120.68(3.68) 1.V59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 176.786 CA :: 65.576 CB :: 31.639 CG1 :: 21.535 CG2 :: 21.186 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 :: 7.855 HA :: 3.658 HB :: 1.741 HG11 :: 0.778 HG12 :: 0.778 HG13 :: 0.778 HG21 :: 0.776 HG22 :: 0.776 HG23 :: 0.776 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 :: 123.394 Ave N Shift Values>> N :: 121.02(4.96) 1.A60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.77 M 0.21 C Shift Assignments>> C :: 177.313 CA :: 52.488 CB :: 18.747 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.910 HA :: 4.190 HB1 :: 1.335 HB2 :: 1.335 HB3 :: 1.335 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.013 Ave N Shift Values>> N :: 123.23(3.7) 1.S61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.737 CA :: 56.895 CB :: 64.849 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.552 HA :: 4.484 HB2 :: 3.833 HB3 :: 3.750 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 :: 113.922 Ave N Shift Values>> N :: 116.3(3.95) 1.E62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.55 M 0.28 K 0.06 Q 0.05 I 0.04 C Shift Assignments>> C :: 176.276 CA :: 56.194 CB :: 31.148 CG :: 36.271 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 :: 8.584 HA :: 4.335 HB2 :: 2.174 HB3 :: 1.811 HG2 :: 2.250 HG3 :: 2.154 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 :: 120.299 Ave N Shift Values>> N :: 120.68(3.68) 1.I63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 175.056 CA :: 59.982 CB :: 39.336 CG1 :: 27.046 CG2 :: 17.355 CD1 :: 12.264 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 :: 7.771 HA :: 4.265 HB :: 1.757 HG12 :: 1.461 HG13 :: 1.165 HG21 :: 0.901 HG22 :: 0.901 HG23 :: 0.901 HD11 :: 0.848 HD12 :: 0.848 HD13 :: 0.848 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 120.142 Ave N Shift Values>> N :: 121.6(4.72) 1.W64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.91 H 0.08 C Shift Assignments>> C :: 176.490 CA :: 57.496 CB :: 29.693 CD1 :: 128.335 CE3 :: 120.904 CZ2 :: 114.159 CZ3 :: 122.105 CH2 :: 123.448 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 8.517 HA :: 4.455 HB2 :: 2.977 HB3 :: 2.945 HD1 :: 7.259 HE1 :: 10.036 HE3 :: 7.210 HZ2 :: 7.200 HZ3 :: 6.878 HH2 :: 6.691 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 127.281 NE1 :: 130.256 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.K65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.56 R 0.39 M 0.02 G 0.01 C Shift Assignments>> C :: 175.384 CA :: 55.866 CB :: 33.461 CG :: 25.652 CD :: 29.321 CE :: 42.254 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 :: 9.327 HA :: 4.673 HB2 :: 2.000 HB3 :: 2.000 HG2 :: 1.632 HG3 :: 1.486 HD2 :: 1.755 HD3 :: 1.755 HE2 :: 3.050 HE3 :: 3.050 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 :: 125.687 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.I66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 176.734 CA :: 61.410 CB :: 40.343 CG1 :: 27.076 CG2 :: 17.950 CD1 :: 13.766 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.332 HA :: 4.954 HB :: 1.690 HG12 :: 1.495 HG13 :: 1.224 HG21 :: 0.804 HG22 :: 0.804 HG23 :: 0.804 HD11 :: 0.825 HD12 :: 0.825 HD13 :: 0.825 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 122.212 Ave N Shift Values>> N :: 121.6(4.72) 1.V67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 174.637 CA :: 61.616 CB :: 34.723 CG1 :: 21.289 CG2 :: 20.931 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 :: 9.639 HA :: 4.348 HB :: 2.068 HG11 :: 0.954 HG12 :: 0.954 HG13 :: 0.954 HG21 :: 0.949 HG22 :: 0.949 HG23 :: 0.949 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 :: 129.761 Ave N Shift Values>> N :: 121.02(4.96) 1.R68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.51 K 0.35 G 0.12 C Shift Assignments>> C :: 177.034 CA :: 55.154 CB :: 32.457 CG :: 28.405 CD :: 43.412 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 :: 8.603 HA :: 5.335 HB2 :: 1.826 HB3 :: 1.698 HG2 :: 1.664 HG3 :: 1.583 HD2 :: 2.925 HD3 :: 2.801 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 :: 124.304 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.S69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.169 CA :: 58.459 CB :: 64.756 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.118 HA :: 4.480 HB2 :: 4.610 HB3 :: 3.952 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 :: 117.706 Ave N Shift Values>> N :: 116.3(3.95) 1.H70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.55 W 0.44 C Shift Assignments>> C :: 175.886 CA :: 55.672 CB :: 29.534 CD2 :: 119.430 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.935 HA :: 4.819 HB2 :: 3.224 HB3 :: 3.100 HD2 :: 7.057 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 :: 120.924 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.G71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.9 L 0.06 C Shift Assignments>> C :: 174.796 CA :: 46.096 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.250 HA2 :: 4.086 HA3 :: 3.956 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 113.208 Ave N Shift Values>> N :: 109.91(4.29) 1.V72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 176.259 CA :: 61.536 CB :: 30.489 CG1 :: 22.202 CG2 :: 18.383 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 :: 8.347 HA :: 4.276 HB :: 2.452 HG11 :: 0.748 HG12 :: 0.748 HG13 :: 0.748 HG21 :: 0.890 HG22 :: 0.890 HG23 :: 0.890 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 :: 116.870 Ave N Shift Values>> N :: 121.02(4.96) 1.Q73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.32 K 0.27 E 0.23 M 0.12 R 0.03 I 0.01 C Shift Assignments>> C :: 176.022 CA :: 56.948 CB :: 29.676 CG :: 34.265 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 :: 7.725 HA :: 4.347 HB2 :: 2.231 HB3 :: 2.231 HG2 :: 2.612 HG3 :: 2.500 HE21 :: 7.644 HE22 :: 6.963 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 :: 122.902 NE2 :: 112.234 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.T74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.69 T 0.28 A 0.01 C Shift Assignments>> C :: 172.621 CA :: 59.252 CB :: 66.115 CG2 :: 20.822 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 :: 7.856 HA :: 3.513 HB :: 3.873 HG21 :: 0.834 HG22 :: 0.834 HG23 :: 0.834 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 :: 112.556 Ave N Shift Values>> N :: 115.7(5.05) 1.M75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.59 A 0.38 I 0.01 C Shift Assignments>> C :: 175.421 CA :: 54.375 CB :: 35.353 CG :: 31.546 CE :: 16.950 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 :: 6.848 HA :: 5.182 HB2 :: 1.756 HB3 :: 1.700 HG2 :: 2.283 HG3 :: 2.237 HE1 :: 1.916 HE2 :: 1.916 HE3 :: 1.916 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 :: 116.901 Ave N Shift Values>> N :: 120.1(3.88) 1.V76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.97 I 0.01 C Shift Assignments>> C :: 173.512 CA :: 61.040 CB :: 36.782 CG1 :: 21.411 CG2 :: 21.411 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 :: 8.929 HA :: 4.360 HB :: 1.778 HG11 :: 0.830 HG12 :: 0.830 HG13 :: 0.830 HG21 :: 0.868 HG22 :: 0.868 HG23 :: 0.868 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 122.871 Ave N Shift Values>> N :: 121.02(4.96) 1.V77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 174.962 CA :: 62.364 CB :: 32.673 CG1 :: 21.202 CG2 :: 21.945 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.460 HA :: 4.360 HB :: 1.936 HG11 :: 0.794 HG12 :: 0.794 HG13 :: 0.794 HG21 :: 0.882 HG22 :: 0.882 HG23 :: 0.882 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 :: 126.375 Ave N Shift Values>> N :: 121.02(4.96) 1.L78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.8 R 0.1 A 0.05 G 0.03 C Shift Assignments>> C :: 174.803 CA :: 53.362 CB :: 42.402 CG :: 26.851 CD1 :: 26.297 CD2 :: 23.364 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 :: 9.202 HA :: 4.563 HB2 :: 1.830 HB3 :: 1.270 HG :: 1.588 HD11 :: 0.727 HD12 :: 0.727 HD13 :: 0.727 HD21 :: 0.757 HD22 :: 0.757 HD23 :: 0.757 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 :: 127.811 Ave N Shift Values>> N :: 121.98(4.07) 1.N79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.37 L 0.23 N 0.14 K 0.08 R 0.06 F 0.03 Y 0.02 G 0.02 HN Overlap>> 1.S114 1.S114 C Shift Assignments>> C :: 174.130 CA :: 51.474 CB :: 42.005 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 :: 8.230 HA :: 5.233 HB2 :: 2.726 HB3 :: 2.658 HD21 :: 7.403 HD22 :: 6.759 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 118.977 ND2 :: 112.555 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.N80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.36 E 0.19 Y 0.15 F 0.08 M 0.08 D 0.05 K 0.02 I 0.01 C Shift Assignments>> C :: 175.033 CA :: 54.441 CB :: 37.071 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 :: 9.013 HA :: 4.365 HB2 :: 3.016 HB3 :: 2.846 HD21 :: 7.565 HD22 :: 6.875 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 :: 112.731 ND2 :: 113.199 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.L81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.81 L 0.16 R 0.01 C Shift Assignments>> C :: 175.680 CA :: 53.530 CB :: 41.093 CG :: 26.311 CD1 :: 25.896 CD2 :: 19.877 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 :: 8.566 HA :: 4.394 HB2 :: 1.396 HB3 :: 1.108 HG :: 1.130 HD11 :: 0.330 HD12 :: 0.330 HD13 :: 0.330 HD21 :: 0.103 HD22 :: 0.103 HD23 :: 0.103 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 :: 117.866 Ave N Shift Values>> N :: 121.98(4.07) 1.E82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.4 E 0.34 Q 0.14 K 0.09 C Shift Assignments>> C :: 174.805 CA :: 53.045 CB :: 30.892 CG :: 35.590 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 :: 8.600 HA :: 4.811 HB2 :: 1.993 HB3 :: 1.883 HG2 :: 2.363 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 :: 120.419 Ave N Shift Values>> N :: 120.68(3.68) 1.P83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 178.406 CA :: 62.836 CB :: 33.064 CG :: 27.556 CD :: 51.071 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 :: 5.190 HB2 :: 2.414 HB3 :: 1.930 HG2 :: 2.011 HG3 :: 1.820 HD2 :: 3.787 HD3 :: 3.670 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.N84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.4 D 0.31 Y 0.09 F 0.08 L 0.08 K 0.01 C Shift Assignments>> C :: 174.516 CA :: 53.285 CB :: 39.593 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 :: 7.696 HA :: 4.320 HB2 :: 3.243 HB3 :: 2.248 HD21 :: 7.513 HD22 :: 6.670 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 :: 124.385 ND2 :: 109.498 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.T85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 171.448 CA :: 63.202 CB :: 71.138 CG2 :: 20.076 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 :: 8.431 HA :: 4.375 HB :: 3.912 HG21 :: 0.521 HG22 :: 0.521 HG23 :: 0.521 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 :: 115.629 Ave N Shift Values>> N :: 115.7(5.05) 1.T86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 172.930 CA :: 62.576 CB :: 68.439 CG2 :: 22.576 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 :: 8.288 HA :: 4.660 HB :: 3.788 HG21 :: 1.030 HG22 :: 1.030 HG23 :: 1.030 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 122.534 Ave N Shift Values>> N :: 115.7(5.05) 1.Y87 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Y 0.77 G 0.22 C Shift Assignments>> C :: 173.645 CA :: 57.726 CB :: 43.297 CD1 :: 133.318 CD2 :: 133.318 CE1 :: 117.990 CE2 :: 117.990 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 9.073 HA :: 4.700 HB2 :: 2.219 HB3 :: 1.035(S) HD1 :: 6.510 HD2 :: 6.510 HE1 :: 6.747 HE2 :: 6.747 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 :: 127.429 Ave N Shift Values>> N :: 120.79(4.69) 1.E88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.61 E 0.36 I 0.01 C Shift Assignments>> C :: 175.935 CA :: 53.896 CB :: 33.702 CG :: 37.181 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 :: 8.985 HA :: 5.265 HB2 :: 1.878 HB3 :: 1.878 HG2 :: 1.962 HG3 :: 1.962 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 :: 116.449 Ave N Shift Values>> N :: 120.68(3.68) 1.I89 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.63 I 0.24 A 0.11 C Shift Assignments>> C :: 173.802 CA :: 58.222 CB :: 43.647 CG1 :: 27.316 CG2 :: 18.105 CD1 :: 16.057 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.025 HA :: 6.173(S) HB :: 1.857 HG12 :: 1.712 HG13 :: 1.044 HG21 :: 1.050 HG22 :: 1.050 HG23 :: 1.050 HD11 :: 0.696 HD12 :: 0.696 HD13 :: 0.696 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 :: 114.601 Ave N Shift Values>> N :: 121.6(4.72) 1.R90 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.59 R 0.35 G 0.04 C Shift Assignments>> C :: 172.885 CA :: 54.721 CB :: 32.719 CG :: 25.466 CD :: 42.631 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 :: 8.694 HA :: 4.556 HB2 :: 1.621 HB3 :: 1.475 HG2 :: 1.029 HG3 :: 0.706 HD2 :: 1.846(S) HD3 :: 1.337(S) HE :: 5.191(S) Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 118.188 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) SRO Rule Breaks>> (HD3 > HB2 : 0.9950) (HD3 > HB3 : 0.9958) 1.V91 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.97 I 0.01 C Shift Assignments>> C :: 174.193 CA :: 60.478 CB :: 35.173 CG1 :: 19.852 CG2 :: 21.140 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 :: 8.503 HA :: 5.227 HB :: 1.235 HG11 :: -0.077(S) HG12 :: -0.077(S) HG13 :: -0.077(S) HG21 :: 0.467 HG22 :: 0.467 HG23 :: 0.467 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 :: 119.813 Ave N Shift Values>> N :: 121.02(4.96) 1.A92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 A 0.22 M 0.1 K 0.07 P 0.03 R 0.01 C Shift Assignments>> C :: 175.174 CA :: 50.644 CB :: 23.268 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.335 HA :: 4.604 HB1 :: 0.645 HB2 :: 0.645 HB3 :: 0.645 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 128.335 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>> L 0.42 A 0.39 M 0.12 K 0.04 C Shift Assignments>> C :: 175.079 CA :: 50.641 CB :: 22.755 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.700 HA :: 4.604 HB1 :: 1.307 HB2 :: 1.307 HB3 :: 1.307 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.790 Ave N Shift Values>> N :: 123.23(3.7) 1.V94 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.849 CA :: 61.200 CB :: 33.427 CG1 :: 21.401 CG2 :: 20.641 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 :: 8.131 HA :: 4.352 HB :: 0.650(S) HG11 :: 0.668 HG12 :: 0.668 HG13 :: 0.668 HG21 :: 0.488 HG22 :: 0.488 HG23 :: 0.488 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 :: 119.974 Ave N Shift Values>> N :: 121.02(4.96) 1.N95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.39 N 0.2 L 0.19 K 0.05 R 0.04 F 0.03 G 0.03 Y 0.02 C Shift Assignments>> C :: 175.900 CA :: 50.595 CB :: 41.788 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 :: 8.599 HA :: 4.701 HB2 :: 3.211 HB3 :: 2.366 HD21 :: 7.980 HD22 :: 7.912 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 :: 126.734 ND2 :: 113.641 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.G96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.05 C Shift Assignments>> C :: 174.113 CA :: 46.631 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.064 HA2 :: 3.745 HA3 :: 3.683 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 103.360 Ave N Shift Values>> N :: 109.91(4.29) 1.K97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.54 R 0.4 M 0.02 G 0.01 HN Overlap>> 1.E28 1.E28 C Shift Assignments>> C :: 176.241 CA :: 55.413 CB :: 32.163 CG :: 24.513 CD :: 28.003 CE :: 42.109 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 :: 7.756 HA :: 4.270 HB2 :: 1.822 HB3 :: 1.526 HG2 :: 1.211 HG3 :: 1.211 HD2 :: 1.612 HD3 :: 1.532 HE2 :: 2.954 HE3 :: 2.932 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 118.670 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.G98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.67 L 0.17 R 0.1 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 170.562 CA :: 44.830 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.818 HA2 :: 4.270 HA3 :: 3.719 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.312 Ave N Shift Values>> N :: 109.91(4.29) 1.Q99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.32 M 0.29 K 0.24 E 0.08 R 0.04 C Shift Assignments>> C :: 176.420 CA :: 55.151 CB :: 30.442 CG :: 33.130 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 :: 8.279 HA :: 4.470 HB2 :: 1.870 HB3 :: 1.771 HG2 :: 2.367 HG3 :: 1.715 HE21 :: 6.574 HE22 :: 6.080 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 :: 120.224 NE2 :: 109.431 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.G100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.58 L 0.2 R 0.15 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 172.599 CA :: 44.641 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.688 HA2 :: 4.106 HA3 :: 4.106 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 113.299 Ave N Shift Values>> N :: 109.91(4.29) 1.D101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.26 L 0.26 K 0.17 R 0.09 F 0.07 N 0.06 Y 0.06 C Shift Assignments>> C :: 177.651 CA :: 54.317 CB :: 41.808 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 :: 7.828 HA :: 4.326 HB2 :: 2.675 HB3 :: 2.418 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 :: 116.112 Ave N Shift Values>> N :: 120.73(4.2) 1.Y102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 178.762 CA :: 59.197 CB :: 41.075 CD1 :: 132.777 CD2 :: 132.777 CE1 :: 121.052 CE2 :: 121.052 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 :: 8.431 HA :: 4.705 HB2 :: 3.209 HB3 :: 2.639 HD1 :: 6.837 HD2 :: 6.837 HE1 :: 6.484 HE2 :: 6.484 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 :: 118.697 Ave N Shift Values>> N :: 120.79(4.69) 1.S103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.88 T 0.11 C Shift Assignments>> C :: 173.419 CA :: 58.231 CB :: 66.149 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.284 HA :: 4.529 HB2 :: 4.277 HB3 :: 3.709 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.131 Ave N Shift Values>> N :: 116.3(3.95) 1.K104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.62 R 0.29 M 0.06 G 0.01 C Shift Assignments>> C :: 177.671 CA :: 57.192 CB :: 32.653 CG :: 24.644 CD :: 29.302 CE :: 42.128 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 :: 8.296 HA :: 4.258 HB2 :: 1.937 HB3 :: 1.937 HG2 :: 1.631 HG3 :: 1.631 HD2 :: 1.814 HD3 :: 1.814 HE2 :: 3.126 HE3 :: 3.126 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 :: 119.572 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.I105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 176.659 CA :: 62.137 CB :: 39.086 CG1 :: 30.242 CG2 :: 18.626 CD1 :: 13.656 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 :: 8.427 HA :: 4.534 HB :: 1.760 HG12 :: 1.793 HG13 :: 1.039 HG21 :: 1.088 HG22 :: 1.088 HG23 :: 1.088 HD11 :: 1.049 HD12 :: 1.049 HD13 :: 1.049 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 126.900 Ave N Shift Values>> N :: 121.6(4.72) 1.E106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.64 E 0.18 Q 0.14 K 0.02 C Shift Assignments>> C :: 174.247 CA :: 53.809 CB :: 32.441 CG :: 34.867 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 :: 8.633 HA :: 4.903 HB2 :: 2.064 HB3 :: 1.619 HG2 :: 2.263 HG3 :: 2.263 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 :: 127.444 Ave N Shift Values>> N :: 120.68(3.68) 1.I107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.98 A 0.01 HN Overlap>> 1.Q109 1.Q109 C Shift Assignments>> C :: 176.505 CA :: 59.235 CB :: 41.115 CG1 :: 28.178 CG2 :: 17.757 CD1 :: 13.594 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 :: 8.520 HA :: 5.563 HB :: 1.643 HG12 :: 1.512 HG13 :: 1.070 HG21 :: 0.799 HG22 :: 0.799 HG23 :: 0.799 HD11 :: 0.811 HD12 :: 0.811 HD13 :: 0.811 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 120.862 Ave N Shift Values>> N :: 121.6(4.72) 1.F108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.97 G 0.01 C Shift Assignments>> C :: 170.931 CA :: 56.143 CB :: 41.943 CD1 :: 132.304 CD2 :: 132.304 CE1 :: 130.364 CE2 :: 130.364 CZ :: 128.493 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 9.022 HA :: 5.019 HB2 :: 3.069 HB3 :: 3.069 HD1 :: 6.872 HD2 :: 6.872 HE1 :: 6.818 HE2 :: 6.818 HZ :: 6.431 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 :: 122.644 Ave N Shift Values>> N :: 120.69(4.18) 1.Q109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.74 Q 0.17 K 0.03 E 0.03 HN Overlap>> 1.I107 1.I107 C Shift Assignments>> C :: 176.599 CA :: 53.229 CB :: 32.191 CG :: 33.102 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 :: 8.571 HA :: 5.543 HB2 :: 1.931 HB3 :: 1.786 HG2 :: 2.532 HG3 :: 2.000 HE21 :: 6.926 HE22 :: 6.606 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 :: 120.924 NE2 :: 110.802 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.T110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.595 CA :: 61.683 CB :: 69.786 CG2 :: 25.419 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.918 HA :: 4.408 HB :: 4.971 HG21 :: 1.341 HG22 :: 1.341 HG23 :: 1.341 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 :: 115.243 Ave N Shift Values>> N :: 115.7(5.05) 1.L111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.63 A 0.27 R 0.08 C Shift Assignments>> C :: 175.571 CA :: 53.657 CB :: 41.123 CG :: 27.652 CD1 :: 26.211 CD2 :: 21.987 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 :: 7.148 HA :: 4.423 HB2 :: 1.706 HB3 :: 1.201 HG :: 1.539 HD11 :: 0.981 HD12 :: 0.981 HD13 :: 0.981 HD21 :: 0.952 HD22 :: 0.952 HD23 :: 0.952 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 :: 118.246 Ave N Shift Values>> N :: 121.98(4.07) 1.P112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.734 CA :: 62.074 CB :: 32.278 CG :: 26.848 CD :: 49.787 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 :: 4.702 HB2 :: 2.136 HB3 :: 1.967 HG2 :: 2.019 HG3 :: 1.908 HD2 :: 3.869 HD3 :: 3.611 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.V113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 176.532 CA :: 63.567 CB :: 32.220 CG1 :: 20.939 CG2 :: 21.205 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 :: 8.876 HA :: 3.952 HB :: 2.076 HG11 :: 0.986 HG12 :: 0.986 HG13 :: 0.986 HG21 :: 0.978 HG22 :: 0.978 HG23 :: 0.978 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 :: 119.303 Ave N Shift Values>> N :: 121.02(4.96) 1.S114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.N79 1.N79 C Shift Assignments>> C :: 174.494 CA :: 58.124 CB :: 64.103 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.291 HA :: 4.501 HB2 :: 3.849 HB3 :: 3.849 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 118.883 Ave N Shift Values>> N :: 116.3(3.95) 1.G115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.6 L 0.2 R 0.14 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 171.687 CA :: 44.678 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.277 HA2 :: 4.169 HA3 :: 4.088 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.053 Ave N Shift Values>> N :: 109.91(4.29) 1.P116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> CA :: 63.259 CB :: 32.267 CG :: 27.186 CD :: 49.794 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 :: 4.483 HB2 :: 2.301 HB3 :: 1.973 HG2 :: 2.021 HG3 :: 2.021 HD2 :: 3.629 HD3 :: 3.629 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.S117 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S118 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G119 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable ########################################################################### Overall Results: #Consistent: 109 #Clerical: 0 #Suspicious: 8 #Anomalous: 2 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 111 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 8 Shift Relative Order (SRO) Results: #Consistent: 118 #Suspicious: 1 C Shift Results: #Consistent: 487 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 776 #Duplicate: 0 #Unknown: 0 #Suspicious: 14 #Anomalous: 3 N Shift Results: #Consistent: 113 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 Error Summary: 1.T32 N = 97.846(S), Expected = 115.70, Std = 5.0500, ChiSquare = 4.0709e-04 1.N39 HB3 = 1.270(S), Expected = 2.78, Std = 0.3400, ChiSquare = 8.9468e-06 1.Q53 HE21 = 9.317(A), Expected = 7.17, Std = 0.4600, ChiSquare = 3.0505e-06 1.D55 HA = 5.839(S), Expected = 4.61, Std = 0.3100, ChiSquare = 7.3545e-05 1.K57 HG3 = -0.051(S), Expected = 1.37, Std = 0.2900, ChiSquare = 9.5837e-07 1.K57 HD2 = 0.293(A), Expected = 1.61, Std = 0.2500, ChiSquare = 1.3792e-07 1.K57 HD3 = -0.911(A), Expected = 1.61, Std = 0.2500, ChiSquare = 6.5024e-24 1.K57 HE2 = 2.170(S), Expected = 2.93, Std = 0.2000, ChiSquare = 1.4470e-04 1.K57 HE3 = 1.562(S), Expected = 2.93, Std = 0.2000, ChiSquare = 7.9193e-12 1.Y87 HB3 = 1.035(S), Expected = 2.91, Std = 0.3700, ChiSquare = 4.0293e-07 1.I89 HA = 6.173(S), Expected = 4.20, Std = 0.5600, ChiSquare = 4.2635e-04 1.R90 HD2 = 1.846(S), Expected = 3.13, Std = 0.2300, ChiSquare = 2.3694e-08 1.R90 HD3 = 1.337(S), Expected = 3.13, Std = 0.2200, ChiSquare = 3.6392e-16 1.R90 HE = 5.191(S), Expected = 7.32, Std = 0.5200, ChiSquare = 4.2357e-05 1.R90 SRO Rule Break>> HD3 > HB2 : 0.994991652754591 1.R90 SRO Rule Break>> HD3 > HB3 : 0.995794785534062 1.V91 HG11 = -0.077(S), Expected = 0.84, Std = 0.2700, ChiSquare = 6.8304e-04 1.V91 HG12 = -0.077(S), Expected = 0.84, Std = 0.2700, ChiSquare = 6.8304e-04 1.V91 HG13 = -0.077(S), Expected = 0.84, Std = 0.2700, ChiSquare = 6.8304e-04 1.V94 HB = 0.650(S), Expected = 1.99, Std = 0.3300, ChiSquare = 4.8945e-05