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 :: 174.418 CA :: 58.508 CB :: 64.003 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> HA :: 4.481 HB2 :: 3.856 HB3 :: 3.856 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 0.66 L 0.13 C 0.09 R 0.07 F 0.01 C Shift Assignments>> C :: 172.553 CA :: 44.961 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.291 HA2 :: 3.823 HA3 :: 3.863 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.058 Ave N Shift Values>> N :: 109.91(4.29) 1.M8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.44 C 0.27 M 0.26 C Shift Assignments>> C :: 173.231 CA :: 53.933 CB :: 35.633 CG :: 31.274 CE :: 18.994 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 9.131 HA :: 4.753 HB2 :: 1.885 HB3 :: 1.958 HG2 :: 2.114 HG3 :: 2.616 HE1 :: 1.850 HE2 :: 1.850 HE3 :: 1.850 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 120.158 Ave N Shift Values>> N :: 120.1(3.88) 1.Q9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.25 C 0.24 K 0.19 E 0.16 M 0.1 R 0.02 C Shift Assignments>> C :: 175.557 CA :: 55.270 CB :: 29.724 CG :: 34.399 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 :: 8.688 HA :: 4.988 HB2 :: 1.985 HB3 :: 2.094 HG2 :: 2.343 HE21 :: 7.564 HE22 :: 6.845 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 :: 122.122 NE2 :: 112.043 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.L10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.45 C 0.41 L 0.12 C Shift Assignments>> C :: 175.460 CA :: 54.356 CB :: 46.503 CG :: 26.505 CD1 :: 26.776 CD2 :: 26.776 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 :: 8.918 HA :: 4.800 HB2 :: 1.422 HB3 :: 1.422 HG :: 1.453 HD11 :: 0.692 HD12 :: 0.692 HD13 :: 0.692 HD21 :: 0.692 HD22 :: 0.692 HD23 :: 0.692 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 :: 124.441 Ave N Shift Values>> N :: 121.98(4.07) 1.T11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.88 C 0.11 C Shift Assignments>> C :: 173.061 CA :: 61.469 CB :: 71.569 CG2 :: 21.735 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 :: 8.305 HA :: 5.270 HB :: 3.891 HG21 :: 1.149 HG22 :: 1.149 HG23 :: 1.149 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 117.626 Ave N Shift Values>> N :: 115.7(5.05) 1.V12 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>> C :: 173.716 CA :: 61.393 CB :: 33.579 CG1 :: 22.151 CG2 :: 20.749 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 :: 8.903 HA :: 4.526 HB :: 2.000 HG11 :: 0.647 HG12 :: 0.647 HG13 :: 0.647 HG21 :: 0.682 HG22 :: 0.682 HG23 :: 0.682 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 :: 125.447 Ave N Shift Values>> N :: 121.02(4.96) 1.K13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 K 0.38 R 0.19 M 0.02 G 0.01 C Shift Assignments>> C :: 175.242 CA :: 54.919 CB :: 35.176 CG :: 24.860 CD :: 29.465 CE :: 42.129 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 :: 8.754 HA :: 4.857 HB2 :: 1.696 HB3 :: 1.947 HG2 :: 1.346 HG3 :: 1.430 HD2 :: 1.636 HE2 :: 2.953 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 126.919 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.A14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.83 M 0.09 C 0.04 L 0.02 C Shift Assignments>> C :: 177.107 CA :: 50.591 CB :: 20.428 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.003 HA :: 5.040 HB1 :: 1.451 HB2 :: 1.451 HB3 :: 1.451 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 130.432 Ave N Shift Values>> N :: 123.23(3.7) 1.L15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 C 0.32 R 0.09 G 0.01 C Shift Assignments>> C :: 178.077 CA :: 56.783 CB :: 42.129 CG :: 27.230 CD1 :: 25.025 CD2 :: 23.718 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 :: 8.260 HA :: 4.258 HB2 :: 1.693 HB3 :: 1.808 HG :: 1.778 HD11 :: 0.997 HD12 :: 0.997 HD13 :: 0.997 HD21 :: 0.958 HD22 :: 0.958 HD23 :: 0.958 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.778 Ave N Shift Values>> N :: 121.98(4.07) 1.Q16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 Q 0.25 K 0.21 E 0.11 R 0.07 I 0.02 M 0.01 C Shift Assignments>> C :: 176.381 CA :: 56.713 CB :: 27.409 CG :: 34.399 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 :: 8.731 HA :: 4.136 HB2 :: 2.149 HB3 :: 2.316 HG2 :: 2.383 HE21 :: 7.411 HE22 :: 6.806 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 :: 115.616 NE2 :: 111.396 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.G17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.09 L 0.07 R 0.01 C Shift Assignments>> C :: 174.321 CA :: 45.770 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.187 HA2 :: 3.890 HA3 :: 4.084 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.750 Ave N Shift Values>> N :: 109.91(4.29) 1.R18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.4 C 0.37 K 0.12 G 0.09 C Shift Assignments>> C :: 174.467 CA :: 56.291 CB :: 31.603 CG :: 27.457 CD :: 43.610 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.688 HA :: 4.437 HB2 :: 1.791 HB3 :: 1.791 HG2 :: 1.659 HG3 :: 1.748 HD2 :: 3.231 HD3 :: 3.231 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 :: 121.122 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.E19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 M 0.26 E 0.1 Q 0.01 C Shift Assignments>> C :: 175.097 CA :: 54.567 CB :: 33.805 CG :: 35.797 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 :: 8.417 HA :: 5.427 HB2 :: 2.050 HB3 :: 1.929 HG2 :: 2.062 HG3 :: 2.135 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.144 Ave N Shift Values>> N :: 120.68(3.68) 1.C20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.21 C 0.19 R 0.18 K 0.16 E 0.12 Q 0.09 V 0.01 C Shift Assignments>> C :: 171.680 CA :: 55.869 CB :: 31.538 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.962 HA :: 5.081 HB2 :: 2.782 HB3 :: 2.947 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 116.008 Ave N Shift Values>> N :: 119.95(4.79) 1.S21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.304 CA :: 56.959 CB :: 64.466 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.653 HA :: 5.349 HB2 :: 3.720 HB3 :: 3.805 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 :: 117.964 Ave N Shift Values>> N :: 116.3(3.95) 1.L22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.48 C 0.31 L 0.18 C Shift Assignments>> C :: 174.418 CA :: 53.546 CB :: 46.323 CG :: 27.245 CD1 :: 26.997 CD2 :: 24.942 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 :: 9.066 HA :: 4.768 HB2 :: 1.446 HB3 :: 1.483 HG :: 1.493 HD11 :: 0.692 HD12 :: 0.692 HD13 :: 0.692 HD21 :: 0.838 HD22 :: 0.838 HD23 :: 0.838 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 :: 124.883 Ave N Shift Values>> N :: 121.98(4.07) 1.Q23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.27 C 0.24 K 0.22 M 0.13 E 0.07 R 0.03 C Shift Assignments>> C :: 175.678 CA :: 54.532 CB :: 29.794 CG :: 33.579 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 :: 8.221 HA :: 5.210 HB2 :: 1.866 HB3 :: 1.866 HG2 :: 2.085 HG3 :: 2.137 HE21 :: 7.249 HE22 :: 6.634 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 121.223 NE2 :: 110.292 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.V24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.77 V 0.11 A 0.09 I 0.02 C Shift Assignments>> C :: 172.649 CA :: 57.428 CB :: 34.711 CG1 :: 22.922 CG2 :: 18.898 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 :: 8.807 HA :: 4.977 HB :: 2.095 HG11 :: 0.816 HG12 :: 0.816 HG13 :: 0.816 HG21 :: 0.658 HG22 :: 0.658 HG23 :: 0.658 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 118.278 Ave N Shift Values>> N :: 121.02(4.96) 1.P25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.79 C 0.2 C Shift Assignments>> C :: 177.156 CA :: 63.152 CB :: 32.615 CG :: 27.903 CD :: 50.846 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 :: 4.513 HB2 :: 1.854 HB3 :: 2.423 HG2 :: 2.097 HG3 :: 2.013 HD2 :: 3.861 HD3 :: 3.802 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.E26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.35 C 0.34 I 0.18 K 0.06 M 0.03 Q 0.01 C Shift Assignments>> C :: 175.411 CA :: 58.930 CB :: 29.712 CG :: 36.578 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 :: 8.947 HA :: 4.030 HB2 :: 2.009 HB3 :: 2.009 HG2 :: 2.316 HG3 :: 2.440 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.682 Ave N Shift Values>> N :: 120.68(3.68) 1.D27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.36 D 0.31 C 0.13 L 0.08 F 0.04 Y 0.03 K 0.01 C Shift Assignments>> C :: 175.630 CA :: 51.400 CB :: 40.343 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 :: 8.001 HA :: 4.764 HB2 :: 2.549 HB3 :: 2.888 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 :: 113.666 Ave N Shift Values>> N :: 120.73(4.2) 1.E28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.33 C 0.32 M 0.15 Q 0.07 K 0.07 I 0.02 C Shift Assignments>> C :: 175.508 CA :: 56.115 CB :: 30.617 CG :: 35.862 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 :: 7.240 HA :: 4.232 HB2 :: 1.638 HB3 :: 2.294 HG2 :: 2.057 HG3 :: 2.962 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 :: 118.232 Ave N Shift Values>> N :: 120.68(3.68) 1.L29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.47 C 0.26 R 0.16 G 0.07 C Shift Assignments>> C :: 179.167 CA :: 55.376 CB :: 43.328 CG :: 27.608 CD1 :: 25.600 CD2 :: 23.873 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 :: 9.720 HA :: 4.554 HB2 :: 1.868 HB3 :: 1.868 HG :: 1.850 HD11 :: 0.989 HD12 :: 0.989 HD13 :: 0.989 HD21 :: 0.892 HD22 :: 0.892 HD23 :: 0.892 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 126.202 Ave N Shift Values>> N :: 121.98(4.07) 1.V30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.95 C 0.04 C Shift Assignments>> C :: 178.125 CA :: 67.163 CB :: 31.357 CG1 :: 21.324 CG2 :: 23.829 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 :: 9.097 HA :: 3.349 HB :: 2.420 HG11 :: 0.670 HG12 :: 0.670 HG13 :: 0.670 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 :: 125.259 Ave N Shift Values>> N :: 121.02(4.96) 1.S31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.91 S 0.08 C Shift Assignments>> C :: 177.398 CA :: 61.619 CB :: 67.211 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.904 HA :: 3.933 HB2 :: 3.914 HB3 :: 3.914 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 :: 113.860 Ave N Shift Values>> N :: 116.3(3.95) 1.T32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 C 0.02 C Shift Assignments>> C :: 175.654 CA :: 65.826 CB :: 68.115 CG2 :: 22.475 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 6.990 HA :: 4.047 HB :: 4.375 HG21 :: 1.205 HG22 :: 1.205 HG23 :: 1.205 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 :: 121.214 Ave N Shift Values>> N :: 115.7(5.05) 1.L33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 L 0.38 R 0.11 K 0.03 C Shift Assignments>> C :: 178.173 CA :: 58.578 CB :: 41.301 CG :: 27.081 CD1 :: 27.230 CD2 :: 24.962 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 :: 7.985 HA :: 3.962 HB2 :: 1.342 HB3 :: 2.024 HG :: 1.463 HD11 :: 0.764 HD12 :: 0.764 HD13 :: 0.764 HD21 :: 0.769 HD22 :: 0.769 HD23 :: 0.769 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 :: 123.327 Ave N Shift Values>> N :: 121.98(4.07) 1.K34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.43 C 0.41 K 0.1 G 0.03 C Shift Assignments>> C :: 179.700 CA :: 59.845 CB :: 33.805 CG :: 27.081 CD :: 30.452 CE :: 42.783 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 :: 8.415 HA :: 4.358 HB2 :: 1.592 HB3 :: 1.900 HG2 :: 1.457 HG3 :: 1.528 HD2 :: 1.580 HD3 :: 1.727 HE2 :: 2.501 HE3 :: 2.648 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 :: 115.971 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Q35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 K 0.21 Q 0.19 R 0.15 E 0.03 P 0.02 I 0.02 M 0.01 C Shift Assignments>> C :: 179.070 CA :: 59.130 CB :: 27.409 CG :: 33.166 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 :: 7.619 HA :: 3.849 HB2 :: 2.337 HB3 :: 2.370 HG2 :: 2.475 HG3 :: 2.446 HE21 :: 6.779 HE22 :: 7.820 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 121.231 NE2 :: 112.785 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.L36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 C 0.34 R 0.1 G 0.02 C Shift Assignments>> C :: 180.257 CA :: 58.226 CB :: 42.370 CG :: 26.669 CD1 :: 25.847 CD2 :: 22.722 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 :: 8.133 HA :: 4.141 HB2 :: 1.478 HB3 :: 2.059 HG :: 1.890 HD11 :: 0.921 HD12 :: 0.921 HD13 :: 0.921 HD21 :: 0.921 HD22 :: 0.921 HD23 :: 0.921 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.590 Ave N Shift Values>> N :: 121.98(4.07) 1.V37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.87 C 0.12 C Shift Assignments>> C :: 178.101 CA :: 66.671 CB :: 31.274 CG1 :: 22.311 CG2 :: 24.702 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 :: 8.669 HA :: 3.441 HB :: 2.467 HG11 :: 0.751 HG12 :: 0.751 HG13 :: 0.751 HG21 :: 0.899 HG22 :: 0.899 HG23 :: 0.899 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 :: 119.675 Ave N Shift Values>> N :: 121.02(4.96) 1.S38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.083 CA :: 61.604 CB :: 63.230 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.506 HA :: 4.193 HB2 :: 4.057 HB3 :: 3.911 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 116.861 Ave N Shift Values>> N :: 116.3(3.95) 1.E39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.34 I 0.1 K 0.07 M 0.06 Q 0.04 C Shift Assignments>> C :: 178.173 CA :: 58.332 CB :: 30.041 CG :: 36.208 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 :: 7.429 HA :: 4.154 HB2 :: 2.162 HB3 :: 2.204 HG2 :: 2.281 HG3 :: 2.538 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.498 Ave N Shift Values>> N :: 120.68(3.68) 1.K40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 K 0.38 R 0.19 G 0.01 M 0.01 C Shift Assignments>> C :: 178.125 CA :: 57.558 CB :: 33.824 CG :: 25.271 CD :: 28.590 CE :: 42.376 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 :: 7.677 HA :: 4.348 HB2 :: 1.870 HB3 :: 1.925 HG2 :: 1.517 HG3 :: 1.645 HD2 :: 1.641 HD3 :: 1.735 HE2 :: 2.998 HE3 :: 3.098 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 :: 115.966 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.21 R 0.1 A 0.06 G 0.03 C Shift Assignments>> C :: 176.599 CA :: 53.863 CB :: 42.623 CG :: 27.081 CD1 :: 26.096 CD2 :: 22.887 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 :: 8.650 HA :: 4.544 HB2 :: 1.501 HB3 :: 1.501 HG :: 1.536 HD11 :: 0.688 HD12 :: 0.688 HD13 :: 0.688 HD21 :: 0.682 HD22 :: 0.682 HD23 :: 0.682 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 :: 114.782 Ave N Shift Values>> N :: 121.98(4.07) 1.N42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 N 0.24 E 0.15 Y 0.1 M 0.07 F 0.05 D 0.03 K 0.02 I 0.01 C Shift Assignments>> C :: 174.006 CA :: 54.426 CB :: 36.889 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 :: 7.671 HA :: 4.574 HB2 :: 2.732 HB3 :: 3.127 HD21 :: 6.773 HD22 :: 7.509 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 :: 115.320 ND2 :: 111.490 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.V43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.63 V 0.34 A 0.01 C Shift Assignments>> C :: 173.594 CA :: 58.414 CB :: 34.712 CG1 :: 21.788 CG2 :: 20.510 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 :: 6.399 HA :: 4.579 HB :: 1.573 HG11 :: 0.909 HG12 :: 0.909 HG13 :: 0.909 HG21 :: 0.787 HG22 :: 0.787 HG23 :: 0.787 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 :: 116.418 Ave N Shift Values>> N :: 121.02(4.96) 1.P44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.71 C 0.27 C Shift Assignments>> C :: 178.052 CA :: 63.166 CB :: 32.943 CG :: 27.985 CD :: 51.586 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 :: 4.370 HB2 :: 1.743 HB3 :: 2.469 HG2 :: 1.979 HG3 :: 2.098 HD2 :: 3.543 HD3 :: 3.954 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.V45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.97 C 0.02 C Shift Assignments>> C :: 179.506 CA :: 67.480 CB :: 32.015 CG1 :: 21.177 CG2 :: 21.788 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 :: 8.773 HA :: 3.578 HB :: 2.054 HG11 :: 0.941 HG12 :: 0.941 HG13 :: 0.941 HG21 :: 1.028 HG22 :: 1.028 HG23 :: 1.028 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 :: 123.100 Ave N Shift Values>> N :: 121.02(4.96) 1.R46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.45 C 0.37 K 0.07 G 0.07 L 0.02 C Shift Assignments>> C :: 176.526 CA :: 58.261 CB :: 29.724 CG :: 27.409 CD :: 43.281 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 :: 8.709 HA :: 4.176 HB2 :: 1.857 HB3 :: 1.898 HG2 :: 1.615 HG3 :: 1.660 HD2 :: 3.213 HD3 :: 3.213 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 :: 116.317 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.Q47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.34 M 0.19 K 0.03 Q 0.03 I 0.01 HN Overlap>> 1.G69 1.G69 C Shift Assignments>> C :: 175.024 CA :: 55.763 CB :: 31.274 CG :: 36.299 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 :: 7.694 HA :: 4.430 HB2 :: 1.798 HB3 :: 2.592 HG2 :: 2.116 HG3 :: 2.372 HE21 :: 6.755 HE22 :: 7.635 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 114.958 NE2 :: 110.133 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.Q48 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> C 0.27 Q 0.22 M 0.21 K 0.14 E 0.11 R 0.01 C Shift Assignments>> C :: 176.381 CA :: 57.346 CB :: 30.791 CG :: 33.495 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 :: 7.390 HA :: 4.126 HB2 :: 1.807 HB3 :: 1.902 HG2 :: 2.636 HG3 :: 1.665 HE21 :: 6.574 HE22 :: 6.375 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 117.770 NE2 :: 103.400(S) Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.R49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.42 C 0.36 G 0.14 K 0.06 C Shift Assignments>> C :: 174.103 CA :: 55.306 CB :: 31.538 CG :: 26.998 CD :: 43.856 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 :: 8.649 HA :: 4.494 HB2 :: 1.609 HB3 :: 1.795 HG2 :: 1.337 HG3 :: 1.592 HD2 :: 3.115 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 :: 124.399 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.L50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.61 L 0.22 C 0.14 R 0.01 C Shift Assignments>> C :: 175.097 CA :: 52.877 CB :: 45.270 CG :: 26.916 CD1 :: 26.777 CD2 :: 24.736 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 :: 8.638 HA :: 5.210 HB2 :: 1.143 HB3 :: 1.527 HG :: 1.524 HD11 :: 0.764 HD12 :: 0.764 HD13 :: 0.764 HD21 :: 0.796 HD22 :: 0.796 HD23 :: 0.796 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 125.605 Ave N Shift Values>> N :: 121.98(4.07) 1.L51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.4 C 0.34 L 0.23 A 0.01 C Shift Assignments>> C :: 176.235 CA :: 53.758 CB :: 46.488 CG :: 27.693 CD1 :: 26.012 CD2 :: 24.367 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 :: 9.192 HA :: 5.186 HB2 :: 1.194 HB3 :: 1.707 HG :: 1.395 HD11 :: 0.763 HD12 :: 0.763 HD13 :: 0.763 HD21 :: 0.605 HD22 :: 0.605 HD23 :: 0.605 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.698 Ave N Shift Values>> N :: 121.98(4.07) 1.F52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.51 C 0.42 G 0.06 C Shift Assignments>> C :: 174.903 CA :: 55.798 CB :: 42.648 CD1 :: 131.938 CD2 :: 131.938 CE1 :: 132.348 CE2 :: 132.348 CZ :: 130.252 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.831 HA :: 5.174 HB2 :: 2.795 HB3 :: 2.795 HD1 :: 7.328 HD2 :: 7.328 HE1 :: 7.520 HE2 :: 7.520 HZ :: 7.470 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 119.932 Ave N Shift Values>> N :: 120.69(4.18) 1.K53 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.36 K 0.32 R 0.26 M 0.02 G 0.01 C Shift Assignments>> C :: 176.720 CA :: 57.346 CB :: 29.959 CG :: 24.614 CD :: 29.497 CE :: 42.129 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 :: 9.242 HA :: 3.629 HB2 :: 1.391 HB3 :: 1.652 HG2 :: 0.189(S) HG3 :: 0.728 HD2 :: 1.397 HD3 :: 1.325 HE2 :: 2.867 HE3 :: 2.797 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 :: 127.791 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.G54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 L 0.08 C 0.07 R 0.03 C Shift Assignments>> C :: 173.473 CA :: 45.313 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.556 HA2 :: 3.484 HA3 :: 4.153 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 103.247 Ave N Shift Values>> N :: 109.91(4.29) 1.K55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.43 C 0.35 R 0.16 M 0.02 G 0.01 C Shift Assignments>> C :: 175.097 CA :: 54.743 CB :: 33.988 CG :: 24.778 CD :: 29.136 CE :: 42.293 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 :: 7.830 HA :: 4.573 HB2 :: 1.944 HB3 :: 1.944 HG2 :: 1.522 HG3 :: 1.522 HD2 :: 1.865 HD3 :: 1.865 HE2 :: 3.153 HE3 :: 3.153 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 :: 122.076 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.A56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.81 M 0.16 C 0.01 C Shift Assignments>> C :: 177.568 CA :: 51.717 CB :: 18.520 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.569 HA :: 4.707 HB1 :: 1.274 HB2 :: 1.274 HB3 :: 1.274 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.538 Ave N Shift Values>> N :: 123.23(3.7) 1.L57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.38 A 0.31 C 0.23 R 0.05 G 0.01 C Shift Assignments>> C :: 176.090 CA :: 54.286 CB :: 42.047 CG :: 26.574 CD1 :: 25.644 CD2 :: 20.926 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 :: 8.471 HA :: 3.879 HB2 :: 1.056 HB3 :: 1.394 HG :: 1.314 HD11 :: 0.432 HD12 :: 0.432 HD13 :: 0.432 HD21 :: -0.096 HD22 :: -0.096 HD23 :: -0.096 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 122.591 Ave N Shift Values>> N :: 121.98(4.07) 1.A58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.8 M 0.13 C 0.03 L 0.02 C Shift Assignments>> C :: 177.447 CA :: 51.576 CB :: 20.147 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.419 HA :: 4.519 HB1 :: 1.481 HB2 :: 1.481 HB3 :: 1.481 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 127.039 Ave N Shift Values>> N :: 123.23(3.7) 1.D59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.19 F 0.18 Y 0.14 L 0.14 C 0.13 D 0.08 R 0.05 I 0.03 N 0.01 C Shift Assignments>> C :: 176.502 CA :: 57.382 CB :: 41.225 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 :: 8.166 HA :: 4.129 HB2 :: 2.524 HB3 :: 2.561 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 :: 120.799 Ave N Shift Values>> N :: 120.73(4.2) 1.G60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.64 L 0.14 C 0.09 R 0.08 F 0.01 C Shift Assignments>> C :: 174.685 CA :: 44.915 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.432 HA2 :: 3.991 HA3 :: 4.119 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.920 Ave N Shift Values>> N :: 109.91(4.29) 1.K61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.37 R 0.18 G 0.02 C Shift Assignments>> C :: 174.903 CA :: 54.426 CB :: 34.482 CG :: 25.683 CD :: 28.137 CE :: 42.376 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 :: 7.563 HA :: 4.673 HB2 :: 2.252 HB3 :: 2.395 HG2 :: 1.393 HG3 :: 1.672 HD2 :: 1.667 HD3 :: 1.667 HE2 :: 2.874 HE3 :: 2.874 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 :: 119.689 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.R62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 K 0.3 R 0.14 G 0.08 C Shift Assignments>> C :: 179.579 CA :: 54.621 CB :: 33.805 CG :: 29.383 CD :: 43.198 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 9.219 HA :: 5.286 HB2 :: 1.493 HB3 :: 1.647 HG2 :: 1.593 HG3 :: 1.708 HD2 :: 3.125 HD3 :: 3.359 HE :: 7.229 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 :: 118.821 NE :: 85.306 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.L63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.71 L 0.26 R 0.01 C Shift Assignments>> C :: 179.118 CA :: 58.895 CB :: 39.958 CG :: 26.323 CD1 :: 27.230 CD2 :: 22.513 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 :: 9.186 HA :: 3.970 HB2 :: 1.298 HB3 :: 2.061 HG :: 1.951 HD11 :: 0.662 HD12 :: 0.662 HD13 :: 0.662 HD21 :: 0.598 HD22 :: 0.598 HD23 :: 0.598 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.420 Ave N Shift Values>> N :: 121.98(4.07) 1.S64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 178.416 CA :: 59.704 CB :: 61.825 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.430 HA :: 4.331 HB2 :: 3.749 HB3 :: 3.964 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 :: 108.772 Ave N Shift Values>> N :: 116.3(3.95) 1.D65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.22 Y 0.19 C 0.15 L 0.11 K 0.11 D 0.1 I 0.04 N 0.01 R 0.01 C Shift Assignments>> C :: 176.332 CA :: 57.276 CB :: 40.567 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 :: 7.787 HA :: 4.472 HB2 :: 2.387 HB3 :: 2.825 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 123.424 Ave N Shift Values>> N :: 120.73(4.2) 1.Y66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.55 C 0.44 C Shift Assignments>> C :: 174.782 CA :: 57.487 CB :: 40.124 CD1 :: 133.883 CD2 :: 133.883 CE1 :: 118.464 CE2 :: 118.464 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 :: 7.438 HA :: 4.652 HB2 :: 2.564 HB3 :: 3.395 HD1 :: 7.211 HD2 :: 7.211 HE1 :: 6.823 HE2 :: 6.823 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 :: 116.549 Ave N Shift Values>> N :: 120.79(4.69) 1.S67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.716 CA :: 58.930 CB :: 61.157 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.637 HA :: 4.032 HB2 :: 4.136 HB3 :: 4.136 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 :: 110.746 Ave N Shift Values>> N :: 116.3(3.95) 1.I68 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.71 C 0.28 C Shift Assignments>> C :: 174.685 CA :: 61.921 CB :: 37.278 CG1 :: 27.574 CG2 :: 17.374 CD1 :: 15.097 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 :: 6.706 HA :: 3.331 HB :: 1.320 HG12 :: 1.072 HG13 :: -0.789(S) HG21 :: 0.484 HG22 :: 0.484 HG23 :: 0.484 HD11 :: 0.449 HD12 :: 0.449 HD13 :: 0.449 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 119.961 Ave N Shift Values>> N :: 121.6(4.72) 1.G69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.29 L 0.26 G 0.23 C 0.09 D 0.03 F 0.03 Y 0.02 K 0.01 HN Overlap>> 1.Q47 1.Q47 C Shift Assignments>> C :: 172.141 CA :: 43.976 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.730 HA2 :: 3.746 HA3 :: 4.621 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 114.862 Ave N Shift Values>> N :: 109.91(4.29) 1.P70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.88 C 0.11 C Shift Assignments>> C :: 176.865 CA :: 64.489 CB :: 32.408 CG :: 27.738 CD :: 49.777 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 :: 4.295 HB2 :: 1.929 HB3 :: 2.501 HG2 :: 1.987 HG3 :: 2.138 HD2 :: 3.584 HD3 :: 3.723 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.N71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 N 0.21 E 0.16 Y 0.12 M 0.06 F 0.06 D 0.03 K 0.02 I 0.01 C Shift Assignments>> C :: 175.315 CA :: 54.743 CB :: 36.960 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 :: 9.109 HA :: 4.360 HB2 :: 3.037 HB3 :: 3.088 HD21 :: 7.016 HD22 :: 7.662 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 116.029 ND2 :: 114.226 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.S72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 171.777 CA :: 60.971 CB :: 64.482 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.947 HA :: 4.589 HB2 :: 3.710 HB3 :: 3.788 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 :: 115.890 Ave N Shift Values>> N :: 116.3(3.95) 1.K73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.34 R 0.2 M 0.03 G 0.01 C Shift Assignments>> C :: 175.315 CA :: 54.919 CB :: 33.824 CG :: 24.962 CD :: 29.630 CE :: 42.212 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 :: 8.679 HA :: 5.211 HB2 :: 1.718 HB3 :: 1.798 HG2 :: 1.436 HG3 :: 1.296 HD2 :: 1.654 HD3 :: 1.866 HE2 :: 2.978 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 :: 122.313 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.35 C 0.25 L 0.19 R 0.18 C Shift Assignments>> C :: 175.848 CA :: 53.511 CB :: 44.428 CG :: 28.807 CD1 :: 26.094 CD2 :: 25.564 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 :: 9.106 HA :: 5.111 HB2 :: 1.532 HB3 :: 1.644 HG :: 1.749 HD11 :: 0.723 HD12 :: 0.723 HD13 :: 0.723 HD21 :: 0.771 HD22 :: 0.771 HD23 :: 0.771 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 :: 124.043 Ave N Shift Values>> N :: 121.98(4.07) 1.N75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.21 C 0.11 N 0.11 K 0.1 R 0.05 F 0.04 Y 0.03 C Shift Assignments>> C :: 173.110 CA :: 52.878 CB :: 41.718 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 :: 8.949 HA :: 5.508 HB2 :: 2.508 HB3 :: 2.785 HD21 :: 6.967 HD22 :: 7.530 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 :: 119.168 ND2 :: 111.587 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.L76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.37 G 0.24 C 0.22 R 0.13 A 0.01 C Shift Assignments>> C :: 174.903 CA :: 53.687 CB :: 44.009 CG :: 27.457 CD1 :: 24.055 CD2 :: 26.587 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 :: 8.531 HA :: 5.114 HB2 :: 0.982 HB3 :: 1.481 HG :: 1.296 HD11 :: 0.740 HD12 :: 0.740 HD13 :: 0.740 HD21 :: 0.628 HD22 :: 0.628 HD23 :: 0.628 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 :: 123.931 Ave N Shift Values>> N :: 121.98(4.07) 1.V77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.63 C 0.35 C Shift Assignments>> C :: 173.885 CA :: 61.393 CB :: 34.482 CG1 :: 21.335 CG2 :: 21.489 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 :: 9.299 HA :: 4.242 HB :: 1.929 HG11 :: 0.899 HG12 :: 0.899 HG13 :: 0.899 HG21 :: 0.899 HG22 :: 0.899 HG23 :: 0.899 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 :: 130.099 Ave N Shift Values>> N :: 121.02(4.96) 1.V78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.7 C 0.29 C Shift Assignments>> C :: 176.478 CA :: 61.850 CB :: 32.097 CG1 :: 21.816 CG2 :: 21.490 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 :: 8.410 HA :: 4.448 HB :: 1.979 HG11 :: 0.890 HG12 :: 0.890 HG13 :: 0.890 HG21 :: 0.893 HG22 :: 0.893 HG23 :: 0.893 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 :: 125.800 Ave N Shift Values>> N :: 121.02(4.96) 1.K79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.42 C 0.32 R 0.17 M 0.03 G 0.03 C Shift Assignments>> C :: 173.861 CA :: 53.969 CB :: 32.837 CG :: 24.799 CD :: 29.271 CE :: 42.630 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 :: 9.171 HA :: 4.567 HB2 :: 1.806 HB3 :: 1.600 HG2 :: 1.388 HD2 :: 1.602 HD3 :: 1.705 HE2 :: 3.109 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 :: 130.826 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.P80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.79 C 0.2 C Shift Assignments>> C :: 176.017 CA :: 62.906 CB :: 32.015 CG :: 27.327 CD :: 50.629 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 :: 4.415 HB2 :: 1.982 HB3 :: 2.269 HG2 :: 1.999 HG3 :: 2.036 HD2 :: 3.670 HD3 :: 3.855 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.L81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.47 C 0.3 R 0.13 G 0.09 C Shift Assignments>> C :: 182.486 CA :: 57.017 CB :: 43.406 CG :: 27.266 CD1 :: 23.873 CD2 :: 25.228 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 :: 7.858 HA :: 4.064 HB2 :: 1.534 HB3 :: 1.534 HG :: 1.593 HD11 :: 0.833 HD12 :: 0.833 HD13 :: 0.833 HD21 :: 0.877 HD22 :: 0.877 HD23 :: 0.877 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 :: 127.211 Ave N Shift Values>> N :: 121.98(4.07) ########################################################################### Overall Results: #Consistent: 78 #Clerical: 0 #Suspicious: 3 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 76 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 5 Shift Relative Order (SRO) Results: #Consistent: 81 #Suspicious: 0 C Shift Results: #Consistent: 347 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 569 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 0 N Shift Results: #Consistent: 80 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 Error Summary: 1.Q48 NE2 = 103.400(S), Expected = 111.81, Std = 2.2000, ChiSquare = 1.3198e-04 1.K53 HG2 = 0.189(S), Expected = 1.38, Std = 0.2700, ChiSquare = 1.0284e-05 1.I68 HG13 = -0.789(S), Expected = 1.24, Std = 0.4000, ChiSquare = 3.9262e-07