Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.8 A 0.19 HN Overlap>> 1.E74 1.E74 1.D63 1.D63 C Shift Assignments>> CA :: 55.557 CB :: 32.611 CG :: 32.012 CE :: 16.839 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.224 HA :: 4.419 HB2 :: 1.939 HB3 :: 2.047 HG2 :: 2.369 HG3 :: 2.474 HE1 :: 2.029 HE2 :: 2.029 HE3 :: 2.029 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 121.226 Ave N Shift Values>> N :: 120.09(3.57) 1.L2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.93 A 0.04 G 0.02 C Shift Assignments>> CA :: 55.173 CB :: 42.254 CD1 :: 23.284 CD2 :: 24.949 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.22 HA :: 4.317 HB2 :: 1.567 HB3 :: 1.642 HD11 :: 0.823 HD12 :: 0.823 HD13 :: 0.823 HD21 :: 0.872 HD22 :: 0.872 HD23 :: 0.872 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.497 Ave N Shift Values>> N :: 121.86(3.9) 1.G3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 L 0.13 R 0.02 F 0.01 C Shift Assignments>> CA :: 45.088 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.373 HA2 :: 3.916 HA3 :: 3.916 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.295 Ave N Shift Values>> N :: 109.67(3.87) 1.L4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.93 A 0.03 G 0.02 C Shift Assignments>> CA :: 55.265 CB :: 42.251 CD1 :: 23.306 CD2 :: 25.114 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.099 HA :: 4.32 HB2 :: 1.561 HB3 :: 1.639 HD11 :: 0.815 HD12 :: 0.815 HD13 :: 0.815 HD21 :: 0.905 HD22 :: 0.905 HD23 :: 0.905 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.391 Ave N Shift Values>> N :: 121.86(3.9) 1.G5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.74 L 0.16 R 0.04 F 0.01 D 0.01 C Shift Assignments>> CA :: 44.926 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.557 HA2 :: 3.958 HA3 :: 3.906 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.922 Ave N Shift Values>> N :: 109.67(3.87) 1.A6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.89 M 0.1 HN Overlap>> 1.A103 1.A64 1.A103 1.A64 C Shift Assignments>> CA :: 52.576 CB :: 19.277 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.143 HA :: 4.285 HB1 :: 1.363 HB2 :: 1.363 HB3 :: 1.363 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.534 Ave N Shift Values>> N :: 123.23(3.54) 1.S7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.T78 1.T78 C Shift Assignments>> CA :: 58.278 CB :: 63.609 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.278 HA :: 4.382 HB2 :: 3.766 HB3 :: 3.833 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.18 Ave N Shift Values>> N :: 116.28(3.52) 1.D8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 L 0.23 K 0.11 F 0.1 N 0.1 Y 0.08 R 0.01 C Shift Assignments>> CA :: 54.464 CB :: 41.102 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.167 HA :: 4.509 HB2 :: 2.442 HB3 :: 2.527 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 121.608 Ave N Shift Values>> N :: 120.65(3.86) 1.F9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.33 Y 0.31 D 0.1 L 0.1 I 0.08 N 0.02 K 0.01 C Shift Assignments>> CA :: 57.568 CB :: 39.945 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.978 HA :: 4.553 HB2 :: 2.814 HB3 :: 3.092 HD1 :: 7.158 HD2 :: 7.158 HE1 :: 7.26 HE2 :: 7.26 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 119.219 Ave N Shift Values>> N :: 120.45(4.18) 1.E10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.57 M 0.13 K 0.12 Q 0.12 I 0.04 HN Overlap>> 2.F32 2.F32 C Shift Assignments>> CA :: 56.968 CB :: 30.117 CG :: 36.024 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.353 HA :: 4.063 HB2 :: 1.781 HB3 :: 1.781 HG2 :: 1.856 HG3 :: 2.017 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 123.087 Ave N Shift Values>> N :: 120.67(3.48) 1.F11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.35 F 0.34 I 0.12 D 0.06 L 0.06 N 0.02 HN Overlap>> 1.D82 1.D82 C Shift Assignments>> CA :: 57.854 CB :: 39.367 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.277 HA :: 4.539 HB2 :: 3.019 HB3 :: 3.252 HD1 :: 7.236 HD2 :: 7.236 HE1 :: 7.291 HE2 :: 7.291 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 119.54 Ave N Shift Values>> N :: 120.45(4.18) 1.G12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 L 0.13 R 0.02 F 0.01 C Shift Assignments>> CA :: 45.09 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.244 HA2 :: 3.948 HA3 :: 3.876 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.063 Ave N Shift Values>> N :: 109.67(3.87) 1.V13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 61.582 CB :: 33.586 CG1 :: 20.607 CG2 :: 21.17 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.564 HA :: 4.124 HB :: 1.918 HG11 :: 0.81 HG12 :: 0.81 HG13 :: 0.81 HG21 :: 0.811 HG22 :: 0.811 HG23 :: 0.811 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.322 Ave N Shift Values>> N :: 121.14(4.54) 1.D14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.41 N 0.23 L 0.2 K 0.05 F 0.03 Y 0.02 R 0.01 G 0.01 C Shift Assignments>> CA :: 50.929 CB :: 41.535 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.526 HA :: 4.517 HB2 :: 2.424 HB3 :: 2.769 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 126.126 Ave N Shift Values>> N :: 120.65(3.86) 1.P15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> CA :: 64.081 CB :: 32.141 CG :: 27.045 CD :: 50.833 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.179 HB2 :: 1.94 HB3 :: 2.145 HG2 :: 1.904 HG3 :: 1.987 HD2 :: 3.748 HD3 :: 3.939 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.S16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 59.6 CB :: 63.432 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.251 HA :: 4.245 HB2 :: 3.809 HB3 :: 3.876 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 112.966 Ave N Shift Values>> N :: 116.28(3.52) 1.A17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.92 M 0.07 C Shift Assignments>> CA :: 52.106 CB :: 19.422 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.564 HA :: 4.296 HB1 :: 1.384 HB2 :: 1.384 HB3 :: 1.384 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.377 Ave N Shift Values>> N :: 123.23(3.54) 1.D18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.39 L 0.25 N 0.14 K 0.08 F 0.04 R 0.04 Y 0.02 HN Overlap>> 1.L23 1.L23 C Shift Assignments>> CA :: 51.959 CB :: 41.824 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.811 HA :: 4.938 HB2 :: 2.455 HB3 :: 2.854 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 118.728 Ave N Shift Values>> N :: 120.65(3.86) 1.P19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> CA :: 65.237 CB :: 31.996 CG :: 27.371 CD :: 50.495 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.321 HB2 :: 1.982 HB3 :: 2.382 HG2 :: 2.064 HG3 :: 2.11 HD2 :: 3.633 HD3 :: 3.844 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.E20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.61 I 0.22 K 0.07 M 0.05 Q 0.03 C Shift Assignments>> CA :: 59.312 CB :: 29.973 CG :: 36.477 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.403 HA :: 4.085 HB2 :: 2.039 HB3 :: 1.975 HG2 :: 2.312 HG3 :: 2.362 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.005 Ave N Shift Values>> N :: 120.67(3.48) 1.L21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.91 R 0.05 G 0.02 HN Overlap>> 1.A45 1.A45 C Shift Assignments>> CA :: 57.432 CB :: 42.402 CG :: 26.937 CD1 :: 24.8 CD2 :: 24.769 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.812 HA :: 3.997 HB2 :: 1.571 HB3 :: 1.651 HG :: 1.582 HD11 :: 0.817 HD12 :: 0.817 HD13 :: 0.817 HD21 :: 0.846 HD22 :: 0.846 HD23 :: 0.846 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.611 Ave N Shift Values>> N :: 121.86(3.9) 1.A22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.58 A 0.37 I 0.04 C Shift Assignments>> CA :: 55.265 CB :: 18.057 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.157 HA :: 3.863 HB1 :: 1.405 HB2 :: 1.405 HB3 :: 1.405 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.642 Ave N Shift Values>> N :: 123.23(3.54) 1.L23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.95 R 0.03 HN Overlap>> 1.D18 1.D18 C Shift Assignments>> CA :: 57.867 CB :: 41.68 CG :: 27.082 CD1 :: 25.058 CD2 :: 23.758 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.801 HA :: 4.067 HB2 :: 1.654 HB3 :: 1.772 HG :: 1.613 HD11 :: 0.904 HD12 :: 0.904 HD13 :: 0.904 HD21 :: 0.899 HD22 :: 0.899 HD23 :: 0.899 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.728 Ave N Shift Values>> N :: 121.86(3.9) 1.A24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.68 M 0.29 I 0.01 C Shift Assignments>> CA :: 54.057 CB :: 18.699 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.513 HA :: 3.838 HB1 :: 1.315 HB2 :: 1.315 HB3 :: 1.315 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.703 Ave N Shift Values>> N :: 123.23(3.54) 1.L25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.91 A 0.06 G 0.02 C Shift Assignments>> CA :: 55.411 CB :: 42.258 CD1 :: 22.89 CD2 :: 24.914 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.351 HA :: 4.245 HB2 :: 1.554 HB3 :: 1.662 HD11 :: 0.696 HD12 :: 0.696 HD13 :: 0.696 HD21 :: 0.818 HD22 :: 0.818 HD23 :: 0.818 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.529 Ave N Shift Values>> N :: 121.86(3.9) 1.R26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.79 G 0.15 K 0.04 C Shift Assignments>> CA :: 59.745 CB :: 30.117 CG :: 27.18 CD :: 43.414 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.725 HA :: 3.917 HB2 :: 1.952 HB3 :: 1.938 HG2 :: 1.576 HG3 :: 1.734 HD2 :: 3.184 HD3 :: 3.184 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.262 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.V27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 65.961 CB :: 31.418 CG1 :: 21.3 CG2 :: 22.34 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.88 HA :: 3.701 HB :: 1.786 HG11 :: 0.767 HG12 :: 0.767 HG13 :: 0.767 HG21 :: 0.932 HG22 :: 0.932 HG23 :: 0.932 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.98 Ave N Shift Values>> N :: 121.14(4.54) 1.S28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 60.034 CB :: 62.926 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.123 HA :: 4.144 HB2 :: 3.78 HB3 :: 3.941 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.356 Ave N Shift Values>> N :: 116.28(3.52) 1.M29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.96 A 0.03 C Shift Assignments>> CA :: 58.001 CB :: 32.141 CG :: 32.285 CE :: 17.254 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.404 HA :: 4.29 HB2 :: 2.251 HB3 :: 2.251 HG2 :: 2.48 HG3 :: 2.556 HE1 :: 2.053 HE2 :: 2.053 HE3 :: 2.053 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 118.756 Ave N Shift Values>> N :: 120.09(3.57) 1.E30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.49 I 0.22 K 0.16 Q 0.1 M 0.01 HN Overlap>> 2.K57 2.K57 C Shift Assignments>> CA :: 59.025 CB :: 28.945 CG :: 35.929 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.209 HA :: 4.138 HB2 :: 2.126 HB3 :: 2.236 HG2 :: 2.308 HG3 :: 2.398 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 123.186 Ave N Shift Values>> N :: 120.67(3.48) 1.E31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.55 I 0.34 K 0.06 M 0.01 Q 0.01 C Shift Assignments>> CA :: 59.073 CB :: 29.394 CG :: 36.91 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.368 HA :: 4.091 HB2 :: 2.04 HB3 :: 2.081 HG2 :: 2.307 HG3 :: 2.382 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.146 Ave N Shift Values>> N :: 120.67(3.48) 1.Q32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.37 K 0.34 R 0.12 E 0.08 I 0.04 M 0.02 HN Overlap>> 1.Y94 1.Y94 C Shift Assignments>> CA :: 58.734 CB :: 28.094 CG :: 33.875 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.33 HA :: 4.128 HB2 :: 2.165 HB3 :: 2.21 HG2 :: 2.358 HG3 :: 2.358 HE21 :: 7.46 HE22 :: 6.939 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.845 NE2 :: 111.315 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.R33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.79 K 0.12 G 0.07 HN Overlap>> 1.Q73 1.Q73 1.E38 2.I55 1.E38 2.I55 C Shift Assignments>> CA :: 59.023 CB :: 30.117 CG :: 27.515 CD :: 43.066 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.179 HA :: 4.094 HB2 :: 2.008 HB3 :: 1.933 HG2 :: 1.638 HG3 :: 1.848 HD2 :: 3.238 HD3 :: 3.238 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.745 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.Q34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.37 K 0.33 R 0.15 E 0.06 I 0.04 M 0.02 HN Overlap>> 1.M98 1.S71 1.M98 1.S71 C Shift Assignments>> CA :: 59.031 CB :: 27.949 CG :: 33.697 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.207 HA :: 4.087 HB2 :: 2.207 HB3 :: 2.207 HG2 :: 2.442 HG3 :: 2.583 HE21 :: 7.643 HE22 :: 6.835 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.707 NE2 :: 111.823 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.R35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.81 G 0.09 K 0.07 HN Overlap>> 1.K67 1.R41 1.K67 1.R41 C Shift Assignments>> CA :: 58.931 CB :: 29.896 CG :: 27.18 CD :: 43.202 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.988 HA :: 4.088 HB2 :: 1.937 HB3 :: 1.986 HG2 :: 1.639 HG3 :: 1.848 HD2 :: 3.237 HD3 :: 3.237 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 119.845 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.Q36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.36 K 0.33 E 0.13 R 0.08 I 0.06 M 0.01 HN Overlap>> 1.D82 1.D82 C Shift Assignments>> CA :: 58.9 CB :: 28.27 CG :: 34.218 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.374 HA :: 4.137 HB2 :: 2.172 HB3 :: 2.336 HG2 :: 2.469 HG3 :: 2.61 HE21 :: 7.542 HE22 :: 6.837 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.72 NE2 :: 111.315 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.38 Q 0.37 E 0.11 R 0.04 M 0.03 I 0.03 HN Overlap>> 1.I92 1.I92 C Shift Assignments>> CA :: 59.011 CB :: 29.105 CG :: 33.857 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.411 HA :: 4.133 HB2 :: 2.125 HB3 :: 2.2 HG2 :: 2.443 HG3 :: 2.583 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.571 Ave N Shift Values>> N :: 120.67(3.48) 1.E38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.53 I 0.29 K 0.11 Q 0.04 M 0.01 HN Overlap>> 1.R33 1.R33 C Shift Assignments>> CA :: 58.91 CB :: 28.945 CG :: 36.443 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.174 HA :: 4.132 HB2 :: 2.127 HB3 :: 2.208 HG2 :: 2.297 HG3 :: 2.493 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.813 Ave N Shift Values>> N :: 120.67(3.48) 1.E39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.5 I 0.24 K 0.15 Q 0.08 M 0.01 C Shift Assignments>> CA :: 59.011 CB :: 28.945 CG :: 36.06 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.268 HA :: 4.131 HB2 :: 2.128 HB3 :: 2.232 HG2 :: 2.315 HG3 :: 2.399 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.177 Ave N Shift Values>> N :: 120.67(3.48) 1.A40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.5 A 0.47 I 0.02 C Shift Assignments>> CA :: 54.628 CB :: 17.965 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.063 HA :: 4.241 HB1 :: 1.546 HB2 :: 1.546 HB3 :: 1.546 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.381 Ave N Shift Values>> N :: 123.23(3.54) 1.R41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.8 K 0.1 G 0.08 HN Overlap>> 1.Q107 1.R35 1.M68 1.Q107 1.R35 1.M68 C Shift Assignments>> CA :: 59.212 CB :: 30.032 CG :: 27.452 CD :: 43.066 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.078 HA :: 4.104 HB2 :: 1.943 HB3 :: 2.017 HG2 :: 1.64 HG3 :: 1.844 HD2 :: 3.235 HD3 :: 3.235 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 119.851 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.R42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.8 G 0.1 K 0.08 HN Overlap>> 1.Q73 1.F105 1.Q73 1.F105 C Shift Assignments>> CA :: 59.168 CB :: 29.973 CG :: 27.487 CD :: 43.202 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.179 HA :: 4.099 HB2 :: 1.947 HB3 :: 1.947 HG2 :: 1.639 HG3 :: 1.849 HD2 :: 3.241 HD3 :: 3.241 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.612 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.A43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.57 M 0.4 I 0.01 HN Overlap>> 1.I70 1.I70 C Shift Assignments>> CA :: 54.111 CB :: 18.086 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.202 HA :: 4.204 HB1 :: 1.492 HB2 :: 1.492 HB3 :: 1.492 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.715 Ave N Shift Values>> N :: 123.23(3.54) 1.A44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.64 M 0.33 C Shift Assignments>> CA :: 53.82 CB :: 18.229 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.939 HA :: 4.226 HB1 :: 1.497 HB2 :: 1.497 HB3 :: 1.497 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.27 Ave N Shift Values>> N :: 123.23(3.54) 1.A45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.62 M 0.36 I 0.01 HN Overlap>> 1.L21 1.L21 C Shift Assignments>> CA :: 53.847 CB :: 18.103 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.899 HA :: 4.248 HB1 :: 1.507 HB2 :: 1.507 HB3 :: 1.507 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.611 Ave N Shift Values>> N :: 123.23(3.54) 1.A46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.74 M 0.24 HN Overlap>> 1.A49 1.A49 C Shift Assignments>> CA :: 53.51 CB :: 18.575 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.982 HA :: 4.278 HB1 :: 1.488 HB2 :: 1.488 HB3 :: 1.488 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.849 Ave N Shift Values>> N :: 123.23(3.54) 1.S47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 59.291 CB :: 63.568 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.046 HA :: 4.379 HB2 :: 3.948 HB3 :: 3.948 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.118 Ave N Shift Values>> N :: 116.28(3.52) 1.A48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.81 M 0.17 C Shift Assignments>> CA :: 53.276 CB :: 18.988 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.033 HA :: 4.302 HB1 :: 1.448 HB2 :: 1.448 HB3 :: 1.448 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.101 Ave N Shift Values>> N :: 123.23(3.54) 1.A49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.81 M 0.17 HN Overlap>> 1.A95 1.A46 1.A95 1.A46 C Shift Assignments>> CA :: 53.028 CB :: 18.774 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.009 HA :: 4.268 HB1 :: 1.442 HB2 :: 1.442 HB3 :: 1.442 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.87 Ave N Shift Values>> N :: 123.23(3.54) 1.E50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.62 K 0.13 Q 0.08 M 0.08 I 0.07 C Shift Assignments>> CA :: 56.805 CB :: 29.76 CG :: 36.341 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.092 HA :: 4.208 HB2 :: 2.004 HB3 :: 2.097 HG2 :: 2.273 HG3 :: 2.338 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.273 Ave N Shift Values>> N :: 120.67(3.48) 1.A51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.87 M 0.11 HN Overlap>> 1.A103 1.A103 C Shift Assignments>> CA :: 52.669 CB :: 19.177 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.084 HA :: 4.306 HB1 :: 1.45 HB2 :: 1.45 HB3 :: 1.45 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.67 Ave N Shift Values>> N :: 123.23(3.54) 1.G52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 L 0.13 R 0.02 F 0.01 HN Overlap>> 2.T61 2.T61 C Shift Assignments>> CA :: 45.074 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.199 HA2 :: 3.956 HA3 :: 3.916 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.44 Ave N Shift Values>> N :: 109.67(3.87) 1.I53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.K67 1.K67 C Shift Assignments>> CA :: 60.816 CB :: 38.726 CG1 :: 27.045 CG2 :: 17.269 CD1 :: 13.006 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.873 HA :: 4.179 HB :: 1.867 HG12 :: 1.167 HG13 :: 1.456 HG21 :: 0.909 HG22 :: 0.909 HG23 :: 0.909 HD11 :: 0.851 HD12 :: 0.851 HD13 :: 0.851 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 119.832 Ave N Shift Values>> N :: 121.46(4.28) 1.A54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.9 M 0.09 C Shift Assignments>> CA :: 52.274 CB :: 19.192 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.389 HA :: 4.426 HB1 :: 1.404 HB2 :: 1.404 HB3 :: 1.404 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 128.078 Ave N Shift Values>> N :: 123.23(3.54) 1.T55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 61.388 CB :: 69.542 CG2 :: 21.568 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.204 HA :: 4.428 HB :: 4.267 HG21 :: 1.219 HG22 :: 1.219 HG23 :: 1.219 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 113.757 Ave N Shift Values>> N :: 115.42(4.75) 1.T56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 61.737 CB :: 69.604 CG2 :: 21.442 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.28 HA :: 4.406 HB :: 4.259 HG21 :: 1.212 HG22 :: 1.212 HG23 :: 1.212 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 115.905 Ave N Shift Values>> N :: 115.42(4.75) 1.G57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.82 L 0.12 R 0.02 F 0.01 C Shift Assignments>> CA :: 45.149 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.556 HA2 :: 4.06 HA3 :: 4.06 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.6 Ave N Shift Values>> N :: 109.67(3.87) 1.T58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 61.541 CB :: 69.677 CG2 :: 21.443 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.108 HA :: 4.395 HB :: 4.271 HG21 :: 1.174 HG22 :: 1.174 HG23 :: 1.174 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 113.123 Ave N Shift Values>> N :: 115.42(4.75) 1.E59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.6 K 0.12 M 0.11 Q 0.1 I 0.05 C Shift Assignments>> CA :: 56.732 CB :: 29.973 CG :: 36.187 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.657 HA :: 4.294 HB2 :: 1.941 HB3 :: 2.069 HG2 :: 2.278 HG3 :: 2.278 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 123.104 Ave N Shift Values>> N :: 120.67(3.48) 1.D60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 L 0.22 N 0.13 F 0.1 K 0.08 Y 0.08 C Shift Assignments>> CA :: 54.254 CB :: 40.957 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.399 HA :: 4.625 HB2 :: 2.62 HB3 :: 2.706 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 121.399 Ave N Shift Values>> N :: 120.65(3.86) 1.S61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 58.354 CB :: 63.703 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.224 HA :: 4.414 HB2 :: 3.847 HB3 :: 3.925 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.185 Ave N Shift Values>> N :: 116.28(3.52) 1.D62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.22 F 0.13 Y 0.11 N 0.1 K 0.08 C Shift Assignments>> CA :: 54.942 CB :: 40.813 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.441 HA :: 4.59 HB2 :: 2.663 HB3 :: 2.727 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 122.783 Ave N Shift Values>> N :: 120.65(3.86) 1.D63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.22 F 0.14 Y 0.11 K 0.1 N 0.09 HN Overlap>> 1.E74 1.M1 1.E74 1.M1 C Shift Assignments>> CA :: 55.08 CB :: 40.893 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.26 HA :: 4.484 HB2 :: 2.677 HB3 :: 2.677 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 121.229 Ave N Shift Values>> N :: 120.65(3.86) 1.A64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.67 M 0.3 HN Overlap>> 1.A103 1.A103 1.A6 1.A6 C Shift Assignments>> CA :: 53.928 CB :: 18.513 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.18 HA :: 4.117 HB1 :: 1.436 HB2 :: 1.436 HB3 :: 1.436 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.602 Ave N Shift Values>> N :: 123.23(3.54) 1.L65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.97 K 0.01 C Shift Assignments>> CA :: 56.422 CB :: 41.708 CD1 :: 25.071 CD2 :: 25.058 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.012 HA :: 4.219 HB2 :: 1.615 HB3 :: 1.725 HD11 :: 0.878 HD12 :: 0.878 HD13 :: 0.878 HD21 :: 0.919 HD22 :: 0.919 HD23 :: 0.919 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.809 Ave N Shift Values>> N :: 121.86(3.9) 1.L66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.98 A 0.01 C Shift Assignments>> CA :: 56.1 CB :: 41.708 CD1 :: 23.728 CD2 :: 24.48 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.88 HA :: 4.222 HB2 :: 1.635 HB3 :: 1.715 HD11 :: 0.869 HD12 :: 0.869 HD13 :: 0.869 HD21 :: 0.924 HD22 :: 0.924 HD23 :: 0.924 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.038 Ave N Shift Values>> N :: 121.86(3.9) 1.K67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.78 R 0.2 HN Overlap>> 1.R35 1.I53 1.R35 1.I53 C Shift Assignments>> CA :: 56.915 CB :: 32.584 CG :: 25.03 CD :: 28.872 CE :: 41.844 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.966 HA :: 4.201 HB2 :: 1.804 HB3 :: 1.861 HG2 :: 1.408 HG3 :: 1.491 HD2 :: 1.656 HD3 :: 1.656 HE2 :: 2.957 HE3 :: 2.957 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.779 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.M68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.85 A 0.13 HN Overlap>> 1.R41 1.R41 C Shift Assignments>> CA :: 56.096 CB :: 32.793 CG :: 31.851 CE :: 16.837 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.053 HA :: 4.459 HB2 :: 2.101 HB3 :: 2.128 HG2 :: 2.551 HG3 :: 2.638 HE1 :: 2.072 HE2 :: 2.072 HE3 :: 2.072 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 119.954 Ave N Shift Values>> N :: 120.09(3.57) 1.T69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 62.625 CB :: 69.677 CG2 :: 21.45 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.144 HA :: 4.279 HB :: 4.259 HG21 :: 1.207 HG22 :: 1.207 HG23 :: 1.207 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 115.564 Ave N Shift Values>> N :: 115.42(4.75) 1.I70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.L80 1.A43 1.L80 1.A43 C Shift Assignments>> CA :: 61.788 CB :: 38.334 CG1 :: 27.452 CG2 :: 17.398 CD1 :: 12.918 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.152 HA :: 4.125 HB :: 1.889 HG12 :: 1.205 HG13 :: 1.503 HG21 :: 0.906 HG22 :: 0.906 HG23 :: 0.906 HD11 :: 0.838 HD12 :: 0.838 HD13 :: 0.838 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 122.749 Ave N Shift Values>> N :: 121.46(4.28) 1.S71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.M98 1.M98 1.Q34 1.Q34 C Shift Assignments>> CA :: 58.594 CB :: 63.568 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.288 HA :: 4.426 HB2 :: 3.877 HB3 :: 3.877 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 118.776 Ave N Shift Values>> N :: 116.28(3.52) 1.Q72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.39 K 0.36 E 0.11 R 0.06 M 0.04 HN Overlap>> 2.E4 2.E4 C Shift Assignments>> CA :: 56.422 CB :: 28.945 CG :: 33.969 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.307 HA :: 4.28 HB2 :: 2.034 HB3 :: 2.13 HG2 :: 2.385 HG3 :: 2.385 HE21 :: 7.519 HE22 :: 6.838 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 121.876 NE2 :: 112.127 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.4 K 0.37 E 0.08 M 0.07 R 0.05 HN Overlap>> 1.R33 1.R42 2.I55 1.R33 1.R42 2.I55 C Shift Assignments>> CA :: 56.232 CB :: 29.217 CG :: 33.697 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.249 HA :: 4.226 HB2 :: 1.969 HB3 :: 2.024 HG2 :: 2.315 HG3 :: 2.315 HE21 :: 7.475 HE22 :: 6.839 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.67 NE2 :: 112.127 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.57 M 0.16 Q 0.11 K 0.1 I 0.03 HN Overlap>> 1.M1 1.D63 1.M1 1.D63 C Shift Assignments>> CA :: 56.591 CB :: 30.303 CG :: 36.043 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.29 HA :: 4.207 HB2 :: 1.875 HB3 :: 1.912 HG2 :: 2.053 HG3 :: 2.089 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.286 Ave N Shift Values>> N :: 120.67(3.48) 1.F75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.35 F 0.34 I 0.13 D 0.06 L 0.05 N 0.01 C Shift Assignments>> CA :: 58.001 CB :: 39.422 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.243 HA :: 4.567 HB2 :: 3.03 HB3 :: 3.169 HD1 :: 7.244 HD2 :: 7.244 HE1 :: 7.314 HE2 :: 7.314 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 120.962 Ave N Shift Values>> N :: 120.45(4.18) 1.G76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.1 R 0.01 F 0.01 C Shift Assignments>> CA :: 45.271 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.342 HA2 :: 3.918 HA3 :: 3.891 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.983 Ave N Shift Values>> N :: 109.67(3.87) 1.R77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.81 K 0.09 G 0.08 C Shift Assignments>> CA :: 56.061 CB :: 30.551 CG :: 26.909 CD :: 43.202 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.096 HA :: 4.408 HB2 :: 1.792 HB3 :: 1.914 HG2 :: 1.602 HG3 :: 1.656 HD2 :: 3.19 HD3 :: 3.19 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.24 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.T78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> 1.S7 1.S7 C Shift Assignments>> CA :: 61.912 CB :: 69.677 CG2 :: 21.3 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.195 HA :: 4.346 HB :: 4.232 HG21 :: 1.205 HG22 :: 1.205 HG23 :: 1.205 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 114.146 Ave N Shift Values>> N :: 115.42(4.75) 1.G79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.77 L 0.14 R 0.03 F 0.01 D 0.01 C Shift Assignments>> CA :: 45.004 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.368 HA2 :: 3.958 HA3 :: 3.928 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.061 Ave N Shift Values>> N :: 109.67(3.87) 1.L80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.88 A 0.08 R 0.01 HN Overlap>> 1.I70 1.I70 C Shift Assignments>> CA :: 52.833 CB :: 41.708 CG :: 26.909 CD1 :: 23.324 CD2 :: 25.347 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.08 HA :: 4.598 HB2 :: 1.549 HB3 :: 1.58 HG :: 1.637 HD11 :: 0.907 HD12 :: 0.907 HD13 :: 0.907 HD21 :: 0.919 HD22 :: 0.919 HD23 :: 0.919 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.756 Ave N Shift Values>> N :: 121.86(3.9) 1.P81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> CA :: 62.753 CB :: 31.97 CG :: 27.045 CD :: 50.255 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.354 HB2 :: 1.703 HB3 :: 2.114 HG2 :: 1.841 HG3 :: 1.841 HD2 :: 3.551 HD3 :: 3.753 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.D82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.37 N 0.26 L 0.17 F 0.08 Y 0.06 K 0.03 HN Overlap>> 1.Q36 1.Q36 1.F11 1.F11 C Shift Assignments>> CA :: 53.385 CB :: 40.524 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.332 HA :: 4.588 HB2 :: 2.588 HB3 :: 2.743 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.632 Ave N Shift Values>> N :: 120.65(3.86) 1.L83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.92 R 0.04 A 0.02 HN Overlap>> 1.A108 1.A108 C Shift Assignments>> CA :: 56.232 CB :: 41.708 CG :: 27.18 CD1 :: 23.179 CD2 :: 25.09 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.354 HA :: 4.186 HB2 :: 1.581 HB3 :: 1.624 HG :: 1.597 HD11 :: 0.698 HD12 :: 0.698 HD13 :: 0.698 HD21 :: 0.853 HD22 :: 0.853 HD23 :: 0.853 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 125.519 Ave N Shift Values>> N :: 121.86(3.9) 1.S84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 60.258 CB :: 63.16 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.272 HA :: 4.243 HB2 :: 3.888 HB3 :: 3.931 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.037 Ave N Shift Values>> N :: 116.28(3.52) 1.S85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 58.127 CB :: 63.703 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.851 HA :: 4.533 HB2 :: 3.845 HB3 :: 3.89 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.171 Ave N Shift Values>> N :: 116.28(3.52) 1.M86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.79 A 0.19 C Shift Assignments>> CA :: 56.122 CB :: 35.609 CG :: 32.664 CE :: 17.204 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 7.666 HA :: 4.61 HB2 :: 2.008 HB3 :: 2.172 HG2 :: 2.447 HG3 :: 2.614 HE1 :: 1.747 HE2 :: 1.747 HE3 :: 1.747 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 122 Ave N Shift Values>> N :: 120.09(3.57) 1.T87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> 2.T44 2.T44 C Shift Assignments>> CA :: 61.275 CB :: 70.883 CG2 :: 21.734 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.907 HA :: 4.374 HB :: 4.72 HG21 :: 1.364 HG22 :: 1.364 HG23 :: 1.364 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 114.767 Ave N Shift Values>> N :: 115.42(4.75) 1.E88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.47 I 0.39 K 0.07 Q 0.03 M 0.01 C Shift Assignments>> CA :: 60.324 CB :: 29.539 CG :: 36.332 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.061 HA :: 3.908 HB2 :: 1.978 HB3 :: 2.149 HG2 :: 2.197 HG3 :: 2.237 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.587 Ave N Shift Values>> N :: 120.67(3.48) 1.E89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.52 E 0.39 K 0.05 Q 0.01 C Shift Assignments>> CA :: 60.076 CB :: 28.945 CG :: 36.807 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.718 HA :: 3.95 HB2 :: 1.96 HB3 :: 2.043 HG2 :: 2.327 HG3 :: 2.353 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 117.306 Ave N Shift Values>> N :: 120.67(3.48) 1.E90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.59 I 0.32 M 0.04 K 0.03 C Shift Assignments>> CA :: 58.879 CB :: 29.973 CG :: 37.344 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.796 HA :: 4.047 HB2 :: 2.003 HB3 :: 2.362 HG2 :: 2.282 HG3 :: 2.368 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.759 Ave N Shift Values>> N :: 120.67(3.48) 1.Q91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.35 K 0.23 Q 0.19 I 0.18 M 0.01 R 0.01 C Shift Assignments>> CA :: 59.746 CB :: 28.961 CG :: 35.176 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.717 HA :: 4.046 HB2 :: 2.194 HB3 :: 2.276 HG2 :: 2.231 HG3 :: 2.576 HE21 :: 6.951 HE22 :: 6.893 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.854 NE2 :: 111.315 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.E37 1.E37 C Shift Assignments>> CA :: 65.152 CB :: 38.216 CG1 :: 29.683 CG2 :: 16.997 CD1 :: 13.342 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.303 HA :: 3.654 HB :: 1.903 HG12 :: 0.979 HG13 :: 1.851 HG21 :: 0.903 HG22 :: 0.903 HG23 :: 0.903 HD11 :: 0.852 HD12 :: 0.852 HD13 :: 0.852 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 121.577 Ave N Shift Values>> N :: 121.46(4.28) 1.A93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.61 A 0.34 I 0.03 C Shift Assignments>> CA :: 55.121 CB :: 17.687 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.952 HA :: 4.093 HB1 :: 1.487 HB2 :: 1.487 HB3 :: 1.487 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.485 Ave N Shift Values>> N :: 123.23(3.54) 1.Y94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.49 Y 0.26 F 0.21 E 0.02 HN Overlap>> 1.Q32 1.Q32 C Shift Assignments>> CA :: 60.852 CB :: 38.335 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.33 HA :: 4.183 HB2 :: 3.055 HB3 :: 3.106 HD1 :: 7.109 HD2 :: 7.109 HE1 :: 6.761 HE2 :: 6.761 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 119.946 Ave N Shift Values>> N :: 120.52(4.2) 1.A95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.52 M 0.44 I 0.02 HN Overlap>> 1.A49 1.A49 C Shift Assignments>> CA :: 54.831 CB :: 18.483 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.035 HA :: 3.787 HB1 :: 1.453 HB2 :: 1.453 HB3 :: 1.453 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.977 Ave N Shift Values>> N :: 123.23(3.54) 1.M96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.98 A 0.01 C Shift Assignments>> CA :: 58.849 CB :: 32.43 CG :: 32.646 CE :: 17.217 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.521 HA :: 4.1 HB2 :: 2.214 HB3 :: 2.315 HG2 :: 2.638 HG3 :: 2.638 HE1 :: 1.987 HE2 :: 1.987 HE3 :: 1.987 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 117.103 Ave N Shift Values>> N :: 120.09(3.57) 1.Q97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.37 K 0.35 R 0.15 E 0.05 M 0.02 I 0.02 C Shift Assignments>> CA :: 58.454 CB :: 28.094 CG :: 33.586 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.862 HA :: 3.944 HB2 :: 2.022 HB3 :: 2.093 HG2 :: 2.258 HG3 :: 2.373 HE21 :: 7.283 HE22 :: 6.773 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.54 NE2 :: 111.213 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.M98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.88 A 0.11 HN Overlap>> 1.S71 1.Q34 1.S71 1.Q34 C Shift Assignments>> CA :: 56.711 CB :: 31.77 CG :: 31.996 CE :: 17.254 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.23 HA :: 4.135 HB2 :: 1.67 HB3 :: 1.67 HG2 :: 1.977 HG3 :: 2.223 HE1 :: 1.873 HE2 :: 1.873 HE3 :: 1.873 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 118.728 Ave N Shift Values>> N :: 120.09(3.57) 1.S99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 59.581 CB :: 62.945 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.964 HA :: 4.141 HB2 :: 3.932 HB3 :: 3.932 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.073 Ave N Shift Values>> N :: 116.28(3.52) 1.L100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.86 A 0.09 G 0.04 C Shift Assignments>> CA :: 55.41 CB :: 42.547 CD1 :: 22.601 CD2 :: 25.058 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.35 HA :: 4.258 HB2 :: 1.552 HB3 :: 1.668 HD11 :: 0.692 HD12 :: 0.692 HD13 :: 0.692 HD21 :: 0.817 HD22 :: 0.817 HD23 :: 0.817 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.987 Ave N Shift Values>> N :: 121.86(3.9) 1.Q101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.4 K 0.37 E 0.08 M 0.07 R 0.05 C Shift Assignments>> CA :: 56.205 CB :: 29.217 CG :: 33.697 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.695 HA :: 4.257 HB2 :: 2.029 HB3 :: 2.131 HG2 :: 2.367 HG3 :: 2.367 HE21 :: 7.42 HE22 :: 6.79 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.337 NE2 :: 111.924 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.82 L 0.12 R 0.02 F 0.01 C Shift Assignments>> CA :: 45.148 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.37 HA2 :: 3.984 HA3 :: 3.984 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.793 Ave N Shift Values>> N :: 109.67(3.87) 1.A103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.88 M 0.1 HN Overlap>> 1.A51 1.A51 1.A64 1.A6 1.A64 1.A6 C Shift Assignments>> CA :: 52.547 CB :: 19.138 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.085 HA :: 4.296 HB1 :: 1.36 HB2 :: 1.36 HB3 :: 1.36 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.595 Ave N Shift Values>> N :: 123.23(3.54) 1.E104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.57 K 0.16 Q 0.12 M 0.07 I 0.05 C Shift Assignments>> CA :: 56.605 CB :: 29.624 CG :: 36.084 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.49 HA :: 4.198 HB2 :: 1.853 HB3 :: 1.917 HG2 :: 2.052 HG3 :: 2.173 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.437 Ave N Shift Values>> N :: 120.67(3.48) 1.F105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.35 F 0.34 I 0.11 D 0.07 L 0.06 N 0.02 HN Overlap>> 1.R42 1.R42 C Shift Assignments>> CA :: 57.753 CB :: 39.427 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.141 HA :: 4.622 HB2 :: 3.016 HB3 :: 3.193 HD1 :: 7.244 HD2 :: 7.244 HE1 :: 7.31 HE2 :: 7.31 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 120.547 Ave N Shift Values>> N :: 120.45(4.18) 1.G106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.82 L 0.12 R 0.02 F 0.01 C Shift Assignments>> CA :: 45.133 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.286 HA2 :: 3.897 HA3 :: 3.897 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.427 Ave N Shift Values>> N :: 109.67(3.87) 1.Q107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.41 K 0.37 M 0.1 E 0.05 R 0.04 HN Overlap>> 1.R41 1.R41 C Shift Assignments>> CA :: 55.421 CB :: 29.353 CG :: 33.562 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.162 HA :: 4.346 HB2 :: 1.971 HB3 :: 2.12 HG2 :: 2.348 HG3 :: 2.348 HE21 :: 7.559 HE22 :: 6.84 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.839 NE2 :: 112.432 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.89 M 0.09 HN Overlap>> 1.L83 1.L83 C Shift Assignments>> CA :: 52.348 CB :: 19.152 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.395 HA :: 4.314 HB1 :: 1.392 HB2 :: 1.392 HB3 :: 1.392 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.512 Ave N Shift Values>> N :: 123.23(3.54) 1.E109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.57 K 0.14 Q 0.13 M 0.11 I 0.03 C Shift Assignments>> CA :: 56.368 CB :: 29.896 CG :: 36.043 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.451 HA :: 4.294 HB2 :: 1.953 HB3 :: 2.078 HG2 :: 2.276 HG3 :: 2.276 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.344 Ave N Shift Values>> N :: 120.67(3.48) 1.S110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 58.156 CB :: 63.839 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.305 HA :: 4.452 HB2 :: 3.823 HB3 :: 3.867 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 117.098 Ave N Shift Values>> N :: 116.28(3.52) 1.A111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.84 M 0.09 L 0.04 C Shift Assignments>> CA :: 53.748 CB :: 20.062 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.004 HA :: 4.141 HB1 :: 1.332 HB2 :: 1.332 HB3 :: 1.332 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 131.739 Ave N Shift Values>> N :: 123.23(3.54) 2.A1 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.91 M 0.08 C Shift Assignments>> CA :: 50.428(D) CB :: 18.032(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.407(D) HA :: 4.628(D) HB1 :: 1.361(D) HB2 :: 1.361(D) HB3 :: 1.361(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 127.275(D) Ave N Shift Values>> N :: 123.23(3.54) 2.P2 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> CA :: 62.794(D) CB :: 31.982(D) CG :: 27.225(D) CD :: 50.498(D) Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.384(D) HB2 :: 2.284(D) HB3 :: 1.896(D) HG2 :: 2.001(D) HG3 :: 2.001(D) HD2 :: 3.786(D) HD3 :: 3.62(D) Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 2.A3 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.89 M 0.09 C Shift Assignments>> CA :: 51.997(D) CB :: 18.933(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.349(D) HA :: 4.29(D) HB1 :: 1.354(D) HB2 :: 1.354(D) HB3 :: 1.354(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.423(D) Ave N Shift Values>> N :: 123.23(3.54) 2.E4 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.5 Q 0.18 K 0.17 M 0.11 I 0.01 HN Overlap>> 1.Q72 1.Q72 C Shift Assignments>> CA :: 54.083(D) CB :: 29.647(D) CG :: 35.854(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.299(D) HA :: 4.556(D) HB2 :: 2.028(D) HB3 :: 1.859(D) HG2 :: 2.27(D) HG3 :: 2.27(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.839(D) Ave N Shift Values>> N :: 120.67(3.48) 2.P5 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> CA :: 62.557(D) CB :: 32.194(D) CG :: 27.487(D) CD :: 50.236(D) Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.449(D) HB2 :: 2.24(D) HB3 :: 1.811(D) HG2 :: 2.026(D) HG3 :: 2.026(D) HD2 :: 3.755(D) HD3 :: 3.713(D) Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 2.K6 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.85 R 0.13 C Shift Assignments>> CA :: 55.833(D) CB :: 33.037(D) CG :: 24.872(D) CD :: 28.794(D) CE :: 41.607(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.666(D) HA :: 4.216(D) HB2 :: 1.656(D) HB3 :: 1.656(D) HG2 :: 1.436(D) HG3 :: 1.365(D) HD2 :: 1.667(D) HD3 :: 1.667(D) HE2 :: 2.961(D) HE3 :: 2.961(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 123.291(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.I7 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.96 A 0.03 C Shift Assignments>> CA :: 59.092(D) CB :: 36.678(D) CG1 :: 26.728(D) CG2 :: 17.899(D) CD1 :: 9.955(D) Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.395(D) HA :: 4.253(D) HB :: 1.833(D) HG12 :: 1.403(D) HG13 :: 1.338(D) HG21 :: 0.676(D) HG22 :: 0.676(D) HG23 :: 0.676(D) HD11 :: 0.631(D) HD12 :: 0.631(D) HD13 :: 0.631(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 125.046(D) Ave N Shift Values>> N :: 121.46(4.28) 2.I8 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.91 G 0.04 A 0.04 C Shift Assignments>> CA :: 59.267(D) CB :: 41.876(D) CG1 :: 25.061(D) CG2 :: 18.933(D) CD1 :: 14.658(D) Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.982(D) HA :: 4.649(D) HB :: 1.588(D) HG12 :: 1.301(D) HG13 :: 0.877(D) HG21 :: 0.927(D) HG22 :: 0.927(D) HG23 :: 0.927(D) HD11 :: 0.591(D) HD12 :: 0.591(D) HD13 :: 0.591(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 122.993(D) Ave N Shift Values>> N :: 121.46(4.28) 2.K9 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.9 R 0.08 C Shift Assignments>> CA :: 54.42(D) CB :: 32.786(D) CG :: 24.61(D) CD :: 28.794(D) CE :: 41.346(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.979(D) HA :: 5.382(D) HB2 :: 1.772(D) HB3 :: 1.589(D) HG2 :: 1.422(D) HG3 :: 1.228(D) HD2 :: 1.605(D) HD3 :: 1.605(D) HE2 :: 2.897(D) HE3 :: 2.897(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.06(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.V10 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.99 C Shift Assignments>> CA :: 60.826(D) CB :: 35.854(D) CG1 :: 21.212(D) CG2 :: 22.208(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.052(D) HA :: 4.583(D) HB :: 1.804(D) HG11 :: 0.559(D) HG12 :: 0.559(D) HG13 :: 0.559(D) HG21 :: 0.793(D) HG22 :: 0.793(D) HG23 :: 0.793(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 124.817(D) Ave N Shift Values>> N :: 121.14(4.54) 2.T11 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> CA :: 62.754(D) CB :: 69.275(D) CG2 :: 22.068(D) Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.624(D) HA :: 4.997(D) HB :: 4.156(D) HG21 :: 1.091(D) HG22 :: 1.091(D) HG23 :: 1.091(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 124.718(D) Ave N Shift Values>> N :: 115.42(4.75) 2.V12 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.99 C Shift Assignments>> CA :: 60.623(D) CB :: 33.665(D) CG1 :: 23.351(D) CG2 :: 23.636(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.663(D) HA :: 4.999(D) HB :: 2.259(D) HG11 :: 0.875(D) HG12 :: 0.875(D) HG13 :: 0.875(D) HG21 :: 0.671(D) HG22 :: 0.671(D) HG23 :: 0.671(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 128.045(D) Ave N Shift Values>> N :: 121.14(4.54) 2.K13 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.59 K 0.38 G 0.02 C Shift Assignments>> CA :: 54.697(D) CB :: 37.008(D) CG :: 25.395(D) CD :: 30.048(D) CE :: 41.869(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.453(D) HA :: 5.298(D) HB2 :: 1.592(D) HB3 :: 1.32(D) HG2 :: 1.428(D) HG3 :: 1.428(D) HD2 :: 1.592(D) HD3 :: 1.592(D) HE2 :: 2.933(D) HE3 :: 2.933(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 127.039(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.T14 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.97 S 0.02 C Shift Assignments>> CA :: 59.238(D) CB :: 68.209(D) CG2 :: 22.353(D) Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 9.024(D) HA :: 5.41(D) HB :: 4.822(D) HG21 :: 1.01(D) HG22 :: 1.01(D) HG23 :: 1.01(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 119.406(D) Ave N Shift Values>> N :: 115.42(4.75) 2.P15 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> CA :: 65.403(D) CB :: 31.991(D) CG :: 28.533(D) CD :: 50.802(D) Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.45(D) HB2 :: 2.508(D) HB3 :: 1.81(D) HG2 :: 2.044(D) HG3 :: 2.044(D) HD2 :: 4.279(D) HD3 :: 3.788(D) Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 2.K16 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.91 R 0.07 C Shift Assignments>> CA :: 55.89(D) CB :: 35.551(D) CG :: 24.61(D) CD :: 28.794(D) CE :: 41.607(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.843(D) HA :: 4.564(D) HB2 :: 1.913(D) HB3 :: 1.787(D) HG2 :: 1.44(D) HG3 :: 1.357(D) HD2 :: 1.699(D) HD3 :: 1.699(D) HE2 :: 2.997(D) HE3 :: 2.997(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 111.541(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.E17 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.65 E 0.3 Q 0.03 C Shift Assignments>> CA :: 55.489(D) CB :: 33.728(D) CG :: 35.883(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.014(D) HA :: 4.808(D) HB2 :: 2.163(D) HB3 :: 2.163(D) HG2 :: 2.222(D) HG3 :: 2.155(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.212(D) Ave N Shift Values>> N :: 120.67(3.48) 2.K18 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.9 R 0.07 A 0.01 C Shift Assignments>> CA :: 55.205(D) CB :: 35.612(D) CG :: 24.349(D) CD :: 29.579(D) CE :: 41.607(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.523(D) HA :: 5.433(D) HB2 :: 1.8(D) HB3 :: 1.672(D) HG2 :: 1.296(D) HG3 :: 1.296(D) HD2 :: 1.606(D) HD3 :: 1.606(D) HE2 :: 2.923(D) HE3 :: 2.923(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.055(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.E19 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.78 E 0.15 Q 0.05 C Shift Assignments>> CA :: 54.159(D) CB :: 34.678(D) CG :: 35.331(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.915(D) HA :: 4.601(D) HB2 :: 1.775(D) HB3 :: 1.775(D) HG2 :: 1.753(D) HG3 :: 1.589(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.553(D) Ave N Shift Values>> N :: 120.67(3.48) 2.E20 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.5 E 0.47 C Shift Assignments>> CA :: 55.073(D) CB :: 32.455(D) CG :: 37.162(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.8(D) HA :: 5.074(D) HB2 :: 1.832(D) HB3 :: 1.832(D) HG2 :: 2.059(D) HG3 :: 2.059(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 123.837(D) Ave N Shift Values>> N :: 120.67(3.48) 2.F21 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.27 L 0.2 F 0.16 Y 0.12 D 0.11 R 0.09 I 0.01 C Shift Assignments>> CA :: 57.095(D) CB :: 41.876(D) Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 9.159(D) HA :: 4.72(D) HB2 :: 3.009(D) HB3 :: 2.946(D) HD1 :: 7.379(D) HD2 :: 7.379(D) HE1 :: 7.13(D) HE2 :: 7.13(D) HZ :: 6.844(D) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 123.395(D) Ave N Shift Values>> N :: 120.45(4.18) 2.A22 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.93 M 0.06 C Shift Assignments>> CA :: 50.266(D) CB :: 18.363(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.638(D) HA :: 5.427(D) HB1 :: 1.206(D) HB2 :: 1.206(D) HB3 :: 1.206(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.711(D) Ave N Shift Values>> N :: 123.23(3.54) 2.V23 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.63 V 0.35 C Shift Assignments>> CA :: 57.102(D) CB :: 34.802(D) CG1 :: 21.641(D) CG2 :: 18.22(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.217(D) HA :: 4.997(D) HB :: 2.006(D) HG11 :: 0.765(D) HG12 :: 0.765(D) HG13 :: 0.765(D) HG21 :: 0.507(D) HG22 :: 0.507(D) HG23 :: 0.507(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.247(D) Ave N Shift Values>> N :: 121.14(4.54) 2.P24 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> CA :: 62.758(D) CB :: 32.045(D) CG :: 28.01(D) CD :: 50.759(D) Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.684(D) HB2 :: 2.229(D) HB3 :: 1.898(D) HG2 :: 2.145(D) HG3 :: 1.923(D) HD2 :: 3.84(D) HD3 :: 3.606(D) Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 2.E25 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.32 Q 0.27 K 0.27 I 0.08 R 0.03 M 0.01 C Shift Assignments>> CA :: 58.15(D) CB :: 28.533(D) CG :: 35.07(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.116(D) HA :: 3.875(D) HB2 :: 2.151(D) HB3 :: 1.995(D) HG2 :: 2.448(D) HG3 :: 2.095(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.801(D) Ave N Shift Values>> N :: 120.67(3.48) 2.N26 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.78 D 0.04 M 0.04 Y 0.04 F 0.03 E 0.03 C Shift Assignments>> CA :: 51.547(D) CB :: 37.172(D) Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.792(D) HA :: 4.693(D) HB2 :: 3.209(D) HB3 :: 2.75(D) HD21 :: 7.572(D) HD22 :: 6.807(D) Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 113.712(D) ND2 :: 110.609(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 2.S27 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> CA :: 59.668(D) CB :: 64.731(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.438(D) HA :: 4.277(D) HB2 :: 3.765(D) HB3 :: 3.724(D) HG :: 5.482(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 113.218(D) Ave N Shift Values>> N :: 116.28(3.52) 2.S28 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> CA :: 56.955(D) CB :: 64.98(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.873(D) HA :: 5.045(D) HB2 :: 4.428(D) HB3 :: 4.091(D) HG :: 5.966(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 119.675(D) Ave N Shift Values>> N :: 116.28(3.52) 2.V29 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.99 C Shift Assignments>> CA :: 66.96(D) CB :: 30.559(D) CG1 :: 24.989(D) CG2 :: 21.356(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.192(D) HA :: 3.509(D) HB :: 2.644(D) HG11 :: 0.811(D) HG12 :: 0.811(D) HG13 :: 0.811(D) HG21 :: 0.761(D) HG22 :: 0.761(D) HG23 :: 0.761(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 125.539(D) Ave N Shift Values>> N :: 121.14(4.54) 2.Q30 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.45 Q 0.28 R 0.12 M 0.05 P 0.02 I 0.02 E 0.01 C Shift Assignments>> CA :: 59.851(D) CB :: 28.794(D) CG :: 32.91(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.826(D) HA :: 3.822(D) HB2 :: 2.087(D) HB3 :: 1.998(D) HG2 :: 2.292(D) HG3 :: 2.338(D) HE21 :: 7.582(D) HE22 :: 6.713(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 121.161(D) NE2 :: 111.452(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 2.Q31 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.33 K 0.31 E 0.21 I 0.07 R 0.04 M 0.01 C Shift Assignments>> CA :: 58.659(D) CB :: 28.517(D) CG :: 34.6(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.943(D) HA :: 4.031(D) HB2 :: 2.315(D) HB3 :: 2.093(D) HG2 :: 2.479(D) HG3 :: 2.431(D) HE21 :: 7.609(D) HE22 :: 6.838(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.068(D) NE2 :: 112.024(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 2.F32 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.36 F 0.33 I 0.13 D 0.05 L 0.04 N 0.02 E 0.01 HN Overlap>> 1.E10 1.E10 C Shift Assignments>> CA :: 57.812(D) CB :: 39.011(D) Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.312(D) HA :: 4.635(D) HB2 :: 3.181(D) HB3 :: 3.026(D) HD1 :: 6.97(D) HD2 :: 6.97(D) HE1 :: 6.702(D) HE2 :: 6.702(D) HZ :: 7.085(D) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 123.053(D) Ave N Shift Values>> N :: 120.45(4.18) 2.K33 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.82 K 0.14 G 0.02 C Shift Assignments>> CA :: 60.41(D) CB :: 33.216(D) CG :: 28.01(D) CD :: 30.048(D) CE :: 41.869(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.96(D) HA :: 3.393(D) HB2 :: 2.073(D) HB3 :: 1.56(D) HG2 :: 1.661(D) HG3 :: 0.764(D) HD2 :: 1.717(D) HD3 :: 1.717(D) HE2 :: 2.683(D) HE3 :: 2.538(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 117.463(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.E34 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.45 I 0.35 K 0.12 Q 0.05 HN Overlap>> 2.K54 2.K54 C Shift Assignments>> CA :: 59.736(D) CB :: 28.831(D) CG :: 36.116(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.728(D) HA :: 3.82(D) HB2 :: 2.22(D) HB3 :: 2.093(D) HG2 :: 2.474(D) HG3 :: 2.274(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.493(D) Ave N Shift Values>> N :: 120.67(3.48) 2.A35 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.58 A 0.38 I 0.03 C Shift Assignments>> CA :: 54.852(D) CB :: 17.653(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.439(D) HA :: 4.233(D) HB1 :: 1.601(D) HB2 :: 1.601(D) HB3 :: 1.601(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122(D) Ave N Shift Values>> N :: 123.23(3.54) 2.I36 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.99 C Shift Assignments>> CA :: 63.838(D) CB :: 38.185(D) CG1 :: 27.225(D) CG2 :: 17.793(D) CD1 :: 14.32(D) Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.813(D) HA :: 3.723(D) HB :: 1.377(D) HG12 :: 0.682(D) HG13 :: 0.122(D) HG21 :: 0.067(D) HG22 :: 0.067(D) HG23 :: 0.067(D) HD11 :: -0.243(D) HD12 :: -0.243(D) HD13 :: -0.243(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 116.805(D) Ave N Shift Values>> N :: 121.46(4.28) 2.S37 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> CA :: 61.835(D) CB :: 62.157(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.285(D) HA :: 3.871(D) HB2 :: 4.012(D) HB3 :: 3.878(D) HG :: 5.058(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.287(D) Ave N Shift Values>> N :: 116.28(3.52) 2.K38 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.76 R 0.22 C Shift Assignments>> CA :: 58.547(D) CB :: 31.96(D) CG :: 25.026(D) CD :: 28.844(D) CE :: 41.908(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.348(D) HA :: 4.2(D) HB2 :: 1.949(D) HB3 :: 1.949(D) HG2 :: 1.656(D) HG3 :: 1.521(D) HD2 :: 1.736(D) HD3 :: 1.736(D) HE2 :: 3.015(D) HE3 :: 3.015(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.605(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.R39 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.7 L 0.27 R 0.02 C Shift Assignments>> CA :: 56.774(D) CB :: 29.056(D) CG :: 25.395(D) CD :: 40.561(D) Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.734(D) HA :: 4.16(D) HB2 :: 2.065(D) HB3 :: 1.956(D) HG2 :: 1.281(D) HG3 :: 1.281(D) HD2 :: 3.097(D) HD3 :: 2.951(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.047(D) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 2.F40 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.35 F 0.27 I 0.19 E 0.1 M 0.02 D 0.01 N 0.01 L 0.01 C Shift Assignments>> CA :: 58.345(D) CB :: 37.997(D) Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.045(D) HA :: 4.518(D) HB2 :: 3.286(D) HB3 :: 2.451(D) HD1 :: 7.342(D) HD2 :: 7.342(D) HE1 :: 7.093(D) HE2 :: 7.093(D) HZ :: 6.995(D) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 114.3(D) Ave N Shift Values>> N :: 120.45(4.18) 2.K41 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.65 R 0.31 L 0.02 G 0.01 C Shift Assignments>> CA :: 57.045(D) CB :: 29.317(D) CG :: 24.872(D) CD :: 29.056(D) CE :: 41.869(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.863(D) HA :: 4.049(D) HB2 :: 2.026(D) HB3 :: 1.885(D) HG2 :: 1.358(D) HG3 :: 1.358(D) HD2 :: 1.73(D) HD3 :: 1.664(D) HE2 :: 3.003(D) HE3 :: 3.003(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.906(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.S42 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.75 T 0.24 C Shift Assignments>> CA :: 56.774(D) CB :: 66.879(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.947(D) HA :: 4.866(D) HB2 :: 3.556(D) HB3 :: 3.381(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 112.614(D) Ave N Shift Values>> N :: 116.28(3.52) 2.Q43 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.42 K 0.28 M 0.15 E 0.11 R 0.01 C Shift Assignments>> CA :: 55.01(D) CB :: 29.84(D) CG :: 34.024(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.665(D) HA :: 4.568(D) HB2 :: 2.345(D) HB3 :: 2(D) HG2 :: 2.47(D) HG3 :: 2.428(D) HE21 :: 7.808(D) HE22 :: 6.815(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.588(D) NE2 :: 113.562(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 2.T44 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 HN Overlap>> 1.T87 1.T87 C Shift Assignments>> CA :: 66.115(D) CB :: 67.624(D) CG2 :: 22.496(D) Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.94(D) HA :: 3.646(D) HB :: 4.173(D) HG21 :: 1.235(D) HG22 :: 1.235(D) HG23 :: 1.235(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 114.837(D) Ave N Shift Values>> N :: 115.42(4.75) 2.D45 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.26 F 0.19 Y 0.18 N 0.17 L 0.14 I 0.01 K 0.01 C Shift Assignments>> CA :: 55.313(D) CB :: 39.813(D) Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.314(D) HA :: 4.42(D) HB2 :: 2.708(D) HB3 :: 2.646(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 117.7(D) Ave N Shift Values>> N :: 120.65(3.86) 2.Q46 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.38 M 0.35 Q 0.2 K 0.05 C Shift Assignments>> CA :: 55.555(D) CB :: 31.046(D) CG :: 35.321(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.568(D) HA :: 4.314(D) HB2 :: 2.48(D) HB3 :: 2.1(D) HG2 :: 2.399(D) HG3 :: 2.194(D) HE21 :: 7.855(D) HE22 :: 6.752(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 116(D) NE2 :: 112.437(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 2.L47 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.67 A 0.18 R 0.11 G 0.02 C Shift Assignments>> CA :: 54.453(D) CB :: 42.019(D) CG :: 25.395(D) CD1 :: 27.198(D) CD2 :: 22.638(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.151(D) HA :: 4.392(D) HB2 :: 1.721(D) HB3 :: 0.854(D) HG :: 1.949(D) HD11 :: 0.622(D) HD12 :: 0.622(D) HD13 :: 0.622(D) HD21 :: 0.603(D) HD22 :: 0.603(D) HD23 :: 0.603(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 115.963(D) Ave N Shift Values>> N :: 121.86(3.9) 2.V48 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.99 C Shift Assignments>> CA :: 61.762(D) CB :: 33.414(D) CG1 :: 20.426(D) CG2 :: 21.486(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.669(D) HA :: 4.03(D) HB :: 2.076(D) HG11 :: 0.783(D) HG12 :: 0.783(D) HG13 :: 0.783(D) HG21 :: 0.83(D) HG22 :: 0.83(D) HG23 :: 0.83(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 125.095(D) Ave N Shift Values>> N :: 121.14(4.54) 2.L49 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.74 L 0.23 C Shift Assignments>> CA :: 52.938(D) CB :: 45.268(D) CG :: 26.964(D) CD1 :: 26.859(D) CD2 :: 24.776(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.693(D) HA :: 5.213(D) HB2 :: 1.394(D) HB3 :: 1.18(D) HG :: 1.31(D) HD11 :: 0.684(D) HD12 :: 0.684(D) HD13 :: 0.684(D) HD21 :: 0.66(D) HD22 :: 0.66(D) HD23 :: 0.66(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 126.391(D) Ave N Shift Values>> N :: 121.86(3.9) 2.I50 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.68 G 0.28 A 0.01 C Shift Assignments>> CA :: 59.874(D) CB :: 42.675(D) CG1 :: 29.478(D) CG2 :: 18.87(D) CD1 :: 16.072(D) Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.189(D) HA :: 5.084(D) HB :: 1.48(D) HG12 :: 1.317(D) HG13 :: 0.824(D) HG21 :: 0.617(D) HG22 :: 0.617(D) HG23 :: 0.617(D) HD11 :: 0.678(D) HD12 :: 0.678(D) HD13 :: 0.678(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 122.993(D) Ave N Shift Values>> N :: 121.46(4.28) 2.F51 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.33 L 0.29 G 0.17 F 0.07 Y 0.04 D 0.04 K 0.01 C Shift Assignments>> CA :: 57.035(D) CB :: 44.024(D) Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.674(D) HA :: 5.018(D) HB2 :: 2.951(D) HB3 :: 2.702(D) HD1 :: 7.406(D) HD2 :: 7.406(D) HE1 :: 6.919(D) HE2 :: 6.919(D) HZ :: 7.563(D) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 124.962(D) Ave N Shift Values>> N :: 120.45(4.18) 2.A52 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.71 M 0.27 C Shift Assignments>> CA :: 52.61(D) CB :: 17.579(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.781(D) HA :: 3.266(D) HB1 :: 1.066(D) HB2 :: 1.066(D) HB3 :: 1.066(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 132.947(D) Ave N Shift Values>> N :: 123.23(3.54) 2.G53 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.86 L 0.1 R 0.01 F 0.01 C Shift Assignments>> CA :: 45.28(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.184(D) HA2 :: 3.308(D) HA3 :: 4.004(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 100.774(D) Ave N Shift Values>> N :: 109.67(3.87) 2.K54 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.94 R 0.03 A 0.01 HN Overlap>> 2.E34 2.E34 C Shift Assignments>> CA :: 54.42(D) CB :: 34.285(D) CG :: 24.349(D) CD :: 29.193(D) CE :: 41.607(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.772(D) HA :: 4.585(D) HB2 :: 1.858(D) HB3 :: 1.788(D) HG2 :: 1.468(D) HG3 :: 1.468(D) HD2 :: 1.874(D) HD3 :: 1.788(D) HE2 :: 3.09(D) HE3 :: 3.09(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.493(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.I55 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.99 HN Overlap>> 1.Q73 1.R33 1.Q73 1.R33 C Shift Assignments>> CA :: 60.986(D) CB :: 38.122(D) CG1 :: 28.533(D) CG2 :: 17.65(D) CD1 :: 13.803(D) Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.28(D) HA :: 4.275(D) HB :: 1.622(D) HG12 :: 1.546(D) HG13 :: 0.754(D) HG21 :: 0.85(D) HG22 :: 0.85(D) HG23 :: 0.85(D) HD11 :: 0.823(D) HD12 :: 0.823(D) HD13 :: 0.823(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 120.743(D) Ave N Shift Values>> N :: 121.46(4.28) 2.L56 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.64 L 0.33 R 0.01 G 0.01 C Shift Assignments>> CA :: 54.807(D) CB :: 41.869(D) CG :: 26.179(D) CD1 :: 25.061(D) CD2 :: 20.073(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.673(D) HA :: 4.008(D) HB2 :: 1.519(D) HB3 :: 1.207(D) HG :: 1.404(D) HD11 :: 0.515(D) HD12 :: 0.515(D) HD13 :: 0.515(D) HD21 :: 0.076(D) HD22 :: 0.076(D) HD23 :: 0.076(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 128.19(D) Ave N Shift Values>> N :: 121.86(3.9) 2.K57 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.87 R 0.12 HN Overlap>> 1.E30 1.E30 C Shift Assignments>> CA :: 55.205(D) CB :: 32.974(D) CG :: 24.872(D) CD :: 29.056(D) CE :: 41.734(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.145(D) HA :: 4.502(D) HB2 :: 1.874(D) HB3 :: 1.874(D) HG2 :: 1.647(D) HG3 :: 1.461(D) HD2 :: 1.771(D) HD3 :: 1.771(D) HE2 :: 3.086(D) HE3 :: 3.086(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 123.093(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.D58 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.32 Y 0.28 L 0.12 D 0.09 K 0.08 I 0.08 N 0.01 C Shift Assignments>> CA :: 57.941(D) CB :: 40.592(D) Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.384(D) HA :: 4.213(D) HB2 :: 2.63(D) HB3 :: 2.56(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 121.011(D) Ave N Shift Values>> N :: 120.65(3.86) 2.Q59 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.39 K 0.34 R 0.16 M 0.04 E 0.03 C Shift Assignments>> CA :: 55.974(D) CB :: 28.088(D) CG :: 33.501(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.252(D) HA :: 4.452(D) HB2 :: 2.262(D) HB3 :: 2.116(D) HG2 :: 2.464(D) HG3 :: 2.464(D) HE21 :: 7.677(D) HE22 :: 6.91(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 113.173(D) NE2 :: 113(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 2.D60 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.3 L 0.27 K 0.15 F 0.07 N 0.06 R 0.05 Y 0.05 C Shift Assignments>> CA :: 54.006(D) CB :: 41.827(D) Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.777(D) HA :: 4.835(D) HB2 :: 3.164(D) HB3 :: 2.715(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 122.199(D) Ave N Shift Values>> N :: 120.65(3.86) 2.T61 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.98 A 0.01 HN Overlap>> 1.G52 1.G52 C Shift Assignments>> CA :: 59.181(D) CB :: 71.925(D) CG2 :: 21.356(D) Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.273(D) HA :: 5.157(D) HB :: 4.247(D) HG21 :: 1.176(D) HG22 :: 1.176(D) HG23 :: 1.176(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 107.504(D) Ave N Shift Values>> N :: 115.42(4.75) 2.L62 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.95 A 0.04 C Shift Assignments>> CA :: 58.39(D) CB :: 38.76(D) CG :: 26.964(D) CD1 :: 25.291(D) CD2 :: 21.734(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.849(D) HA :: 3.875(D) HB2 :: 1.875(D) HB3 :: 1.324(D) HG :: 1.563(D) HD11 :: 0.371(D) HD12 :: 0.371(D) HD13 :: 0.371(D) HD21 :: 0.3(D) HD22 :: 0.3(D) HD23 :: 0.3(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 117.394(D) Ave N Shift Values>> N :: 121.86(3.9) 2.I63 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.99 C Shift Assignments>> CA :: 63.612(D) CB :: 37.816(D) CG1 :: 29.056(D) CG2 :: 16.51(D) CD1 :: 13.889(D) Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.584(D) HA :: 3.941(D) HB :: 1.723(D) HG12 :: 1.55(D) HG13 :: 1.16(D) HG21 :: 0.902(D) HG22 :: 0.902(D) HG23 :: 0.902(D) HD11 :: 0.827(D) HD12 :: 0.827(D) HD13 :: 0.827(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 117.156(D) Ave N Shift Values>> N :: 121.46(4.28) 2.Q64 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.4 Q 0.32 R 0.16 M 0.06 E 0.02 C Shift Assignments>> CA :: 58.2(D) CB :: 28.533(D) CG :: 32.946(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.686(D) HA :: 4.037(D) HB2 :: 2.166(D) HB3 :: 1.996(D) HG2 :: 2.205(D) HG3 :: 1.864(D) HE21 :: 7.296(D) HE22 :: 6.547(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 123.647(D) NE2 :: 110.609(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 2.H65 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.25 M 0.23 Q 0.22 R 0.09 H 0.08 E 0.04 V 0.03 C Shift Assignments>> CA :: 56.987(D) CB :: 33.24(D) Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 6.914(D) HA :: 4.53(D) HB2 :: 3.306(D) HB3 :: 2.585(D) HD2 :: 7.062(D) HE1 :: 7.74(D) Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 115.118(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 2.G66 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.88 L 0.08 C Shift Assignments>> CA :: 45.53(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.876(D) HA2 :: 3.552(D) HA3 :: 3.998(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.235(D) Ave N Shift Values>> N :: 109.67(3.87) 2.I67 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> I 0.99 C Shift Assignments>> CA :: 61.481(D) CB :: 35.423(D) CG1 :: 26.179(D) CG2 :: 17.365(D) CD1 :: 14.627(D) Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.093(D) HA :: 3.084(D) HB :: 1.246(D) HG12 :: 0.595(D) HG13 :: -1.078(S) HG21 :: 0.269(D) HG22 :: 0.269(D) HG23 :: 0.269(D) HD11 :: 0.301(D) HD12 :: 0.301(D) HD13 :: 0.301(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 119.672(D) Ave N Shift Values>> N :: 121.46(4.28) 2.H68 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.33 H 0.17 R 0.16 K 0.16 Q 0.08 E 0.04 P 0.02 C Shift Assignments>> CA :: 52.951(D) CB :: 32.194(D) Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 6.048(D) HA :: 4.686(D) HB2 :: 3.271(D) HB3 :: 3.053(D) HD2 :: 6.942(D) HE1 :: 6.945(D) Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 121.547(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 2.D69 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.25 R 0.25 K 0.17 F 0.1 D 0.09 Y 0.07 G 0.01 C Shift Assignments>> CA :: 56.612(D) CB :: 42.705(D) Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.463(D) HA :: 4.387(D) HB2 :: 2.669(D) HB3 :: 2.669(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 116.516(D) Ave N Shift Values>> N :: 120.65(3.86) 2.G70 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.78 L 0.14 R 0.03 F 0.01 D 0.01 C Shift Assignments>> CA :: 45.007(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.441(D) HA2 :: 4.285(D) HA3 :: 3.824(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.42(D) Ave N Shift Values>> N :: 109.67(3.87) 2.L71 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.66 A 0.18 R 0.13 G 0.01 C Shift Assignments>> CA :: 54.008(D) CB :: 42.152(D) CG :: 26.702(D) CD1 :: 26.913(D) CD2 :: 22.353(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.674(D) HA :: 4.751(D) HB2 :: 2.033(D) HB3 :: 1.955(D) HG :: 1.587(D) HD11 :: 1.08(D) HD12 :: 1.08(D) HD13 :: 1.08(D) HD21 :: 0.967(D) HD22 :: 0.967(D) HD23 :: 0.967(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.899(D) Ave N Shift Values>> N :: 121.86(3.9) 2.T72 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> CA :: 61.615(D) CB :: 70.886(D) CG2 :: 21.783(D) Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.132(D) HA :: 5.304(D) HB :: 3.961(D) HG21 :: 0.709(D) HG22 :: 0.709(D) HG23 :: 0.709(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 114.91(D) Ave N Shift Values>> N :: 115.42(4.75) 2.V73 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.99 C Shift Assignments>> CA :: 60.459(D) CB :: 34.285(D) CG1 :: 22.518(D) CG2 :: 22.781(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.388(D) HA :: 4.665(D) HB :: 1.988(D) HG11 :: 0.959(D) HG12 :: 0.959(D) HG13 :: 0.959(D) HG21 :: 0.851(D) HG22 :: 0.851(D) HG23 :: 0.851(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 124.619(D) Ave N Shift Values>> N :: 121.14(4.54) 2.H74 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.2 H 0.19 E 0.17 M 0.13 Q 0.13 K 0.11 V 0.01 C Shift Assignments>> CA :: 56.811(D) CB :: 30.903(D) Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.941(D) HA :: 4.921(D) HB2 :: 2.946(D) HB3 :: 2.905(D) Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 125.252(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 2.L75 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> G 0.66 L 0.32 C Shift Assignments>> CA :: 52.876(D) CB :: 45.268(D) CG :: 27.225(D) CD1 :: 25.488(D) CD2 :: 24.491(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.444(D) HA :: 5.282(D) HB2 :: 1.21(D) HB3 :: 0.759(D) HG :: 0.939(D) HD11 :: -0.18(S) HD12 :: -0.18(S) HD13 :: -0.18(S) HD21 :: 0.606(D) HD22 :: 0.606(D) HD23 :: 0.606(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.521(D) Ave N Shift Values>> N :: 121.86(3.9) 2.V76 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.99 C Shift Assignments>> CA :: 61.289(D) CB :: 34.481(D) CG1 :: 20.949(D) CG2 :: 22.353(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.002(D) HA :: 4.143(D) HB :: 1.714(D) HG11 :: 0.771(D) HG12 :: 0.771(D) HG13 :: 0.771(D) HG21 :: 0.765(D) HG22 :: 0.765(D) HG23 :: 0.765(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 128.055(D) Ave N Shift Values>> N :: 121.14(4.54) 2.I77 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.99 C Shift Assignments>> CA :: 60.607(D) CB :: 38.499(D) CG1 :: 27.487(D) CG2 :: 17.462(D) CD1 :: 13.212(D) Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.191(D) HA :: 4.523(D) HB :: 1.683(D) HG12 :: 1.331(D) HG13 :: 0.594(D) HG21 :: 0.867(D) HG22 :: 0.867(D) HG23 :: 0.867(D) HD11 :: 0.717(D) HD12 :: 0.717(D) HD13 :: 0.717(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 126.649(D) Ave N Shift Values>> N :: 121.46(4.28) 2.K78 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Suspicious PRTL>> K 0.92 R 0.06 C Shift Assignments>> CA :: 57.339(D) CB :: 33.326(D) CG :: 24.776(D) CD :: 28.908(D) CE :: 41.306(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 9.053(D) HA :: 4.148(D) HB2 :: 1.801(D) HB3 :: 1.657(D) HG2 :: 1.365(D) HG3 :: 1.292(D) HD2 :: 1.589(D) HD3 :: 1.589(D) HE2 :: 2.903(D) HE3 :: 2.783(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 134.524(S) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) ########################################################################### Overall Results: #Consistent: 111 #Clerical: 75 #Suspicious: 3 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 189 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 189 #Suspicious: 0 C Shift Results: #Consistent: 313 #Duplicate: 269 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 716 #Duplicate: 600 #Unknown: 0 #Suspicious: 4 #Anomalous: 0 N Shift Results: #Consistent: 117 #Duplicate: 80 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 Error Summary: 2.A1 CA = 50.428(D), Expected = 53.14, Std = 1.9800, ChiSquare = 1.7078e-01 2.A1 CB = 18.032(D), Expected = 19.01, Std = 1.8300, ChiSquare = 5.9305e-01 2.A1 H = 8.407(D), Expected = 8.20, Std = 0.6000, ChiSquare = 7.3009e-01 2.A1 HA = 4.628(D), Expected = 4.26, Std = 0.4400, ChiSquare = 4.0295e-01 2.A1 HB1 = 1.361(D), Expected = 1.35, Std = 0.2600, ChiSquare = 9.6625e-01 2.A1 HB2 = 1.361(D), Expected = 1.35, Std = 0.2600, ChiSquare = 9.6625e-01 2.A1 HB3 = 1.361(D), Expected = 1.35, Std = 0.2600, ChiSquare = 9.6625e-01 2.A1 N = 127.275(D), Expected = 123.23, Std = 3.5400, ChiSquare = 2.5318e-01 2.P2 CA = 62.794(D), Expected = 63.33, Std = 1.5200, ChiSquare = 7.2436e-01 2.P2 CB = 31.982(D), Expected = 31.85, Std = 1.1800, ChiSquare = 9.1093e-01 2.P2 CG = 27.225(D), Expected = 27.17, Std = 1.0900, ChiSquare = 9.5976e-01 2.P2 CD = 50.498(D), Expected = 50.32, Std = 0.9900, ChiSquare = 8.5731e-01 2.P2 HA = 4.384(D), Expected = 4.40, Std = 0.3300, ChiSquare = 9.6133e-01 2.P2 HB2 = 2.284(D), Expected = 2.08, Std = 0.3500, ChiSquare = 5.5999e-01 2.P2 HB3 = 1.896(D), Expected = 2.00, Std = 0.3600, ChiSquare = 7.7267e-01 2.P2 HG2 = 2.001(D), Expected = 1.93, Std = 0.3100, ChiSquare = 8.1884e-01 2.P2 HG3 = 2.001(D), Expected = 1.90, Std = 0.3300, ChiSquare = 7.5956e-01 2.P2 HD2 = 3.786(D), Expected = 3.65, Std = 0.3500, ChiSquare = 6.9759e-01 2.P2 HD3 = 3.62(D), Expected = 3.61, Std = 0.3900, ChiSquare = 9.7954e-01 2.A3 CA = 51.997(D), Expected = 53.14, Std = 1.9800, ChiSquare = 5.6376e-01 2.A3 CB = 18.933(D), Expected = 19.01, Std = 1.8300, ChiSquare = 9.6644e-01 2.A3 H = 8.349(D), Expected = 8.20, Std = 0.6000, ChiSquare = 8.0388e-01 2.A3 HA = 4.29(D), Expected = 4.26, Std = 0.4400, ChiSquare = 9.4564e-01 2.A3 HB1 = 1.354(D), Expected = 1.35, Std = 0.2600, ChiSquare = 9.8773e-01 2.A3 HB2 = 1.354(D), Expected = 1.35, Std = 0.2600, ChiSquare = 9.8773e-01 2.A3 HB3 = 1.354(D), Expected = 1.35, Std = 0.2600, ChiSquare = 9.8773e-01 2.A3 N = 124.423(D), Expected = 123.23, Std = 3.5400, ChiSquare = 7.3611e-01 2.E4 CA = 54.083(D), Expected = 57.32, Std = 2.0900, ChiSquare = 1.2143e-01 2.E4 CB = 29.647(D), Expected = 30.01, Std = 1.7200, ChiSquare = 8.3285e-01 2.E4 CG = 35.854(D), Expected = 36.11, Std = 1.1900, ChiSquare = 8.2967e-01 2.E4 H = 8.299(D), Expected = 8.33, Std = 0.5900, ChiSquare = 9.5810e-01 2.E4 HA = 4.556(D), Expected = 4.25, Std = 0.4100, ChiSquare = 4.5546e-01 2.E4 HB2 = 2.028(D), Expected = 2.02, Std = 0.2100, ChiSquare = 9.6961e-01 2.E4 HB3 = 1.859(D), Expected = 1.99, Std = 0.2300, ChiSquare = 5.6897e-01 2.E4 HG2 = 2.27(D), Expected = 2.27, Std = 0.2100, ChiSquare = 1.0000e+00 2.E4 HG3 = 2.27(D), Expected = 2.25, Std = 0.2200, ChiSquare = 9.2757e-01 2.E4 N = 121.839(D), Expected = 120.67, Std = 3.4800, ChiSquare = 7.3693e-01 2.P5 CA = 62.557(D), Expected = 63.33, Std = 1.5200, ChiSquare = 6.1107e-01 2.P5 CB = 32.194(D), Expected = 31.85, Std = 1.1800, ChiSquare = 7.7065e-01 2.P5 CG = 27.487(D), Expected = 27.17, Std = 1.0900, ChiSquare = 7.7118e-01 2.P5 CD = 50.236(D), Expected = 50.32, Std = 0.9900, ChiSquare = 9.3238e-01 2.P5 HA = 4.449(D), Expected = 4.40, Std = 0.3300, ChiSquare = 8.8196e-01 2.P5 HB2 = 2.24(D), Expected = 2.08, Std = 0.3500, ChiSquare = 6.4757e-01 2.P5 HB3 = 1.811(D), Expected = 2.00, Std = 0.3600, ChiSquare = 5.9958e-01 2.P5 HG2 = 2.026(D), Expected = 1.93, Std = 0.3100, ChiSquare = 7.5681e-01 2.P5 HG3 = 2.026(D), Expected = 1.90, Std = 0.3300, ChiSquare = 7.0260e-01 2.P5 HD2 = 3.755(D), Expected = 3.65, Std = 0.3500, ChiSquare = 7.6418e-01 2.P5 HD3 = 3.713(D), Expected = 3.61, Std = 0.3900, ChiSquare = 7.9170e-01 2.K6 CA = 55.833(D), Expected = 56.95, Std = 2.2000, ChiSquare = 6.1164e-01 2.K6 CB = 33.037(D), Expected = 32.79, Std = 1.7800, ChiSquare = 8.8964e-01 2.K6 CG = 24.872(D), Expected = 24.89, Std = 1.1300, ChiSquare = 9.8729e-01 2.K6 CD = 28.794(D), Expected = 28.96, Std = 1.0800, ChiSquare = 8.7784e-01 2.K6 CE = 41.607(D), Expected = 41.89, Std = 0.8200, ChiSquare = 7.3000e-01 2.K6 H = 8.666(D), Expected = 8.19, Std = 0.6000, ChiSquare = 4.2758e-01 2.K6 HA = 4.216(D), Expected = 4.27, Std = 0.4400, ChiSquare = 9.0232e-01 2.K6 HB2 = 1.656(D), Expected = 1.78, Std = 0.2500, ChiSquare = 6.1989e-01 2.K6 HB3 = 1.656(D), Expected = 1.74, Std = 0.2700, ChiSquare = 7.5572e-01 2.K6 HG2 = 1.436(D), Expected = 1.37, Std = 0.2600, ChiSquare = 7.9961e-01 2.K6 HG3 = 1.365(D), Expected = 1.35, Std = 0.2800, ChiSquare = 9.5728e-01 2.K6 HD2 = 1.667(D), Expected = 1.61, Std = 0.2200, ChiSquare = 7.9556e-01 2.K6 HD3 = 1.667(D), Expected = 1.60, Std = 0.2200, ChiSquare = 7.6071e-01 2.K6 HE2 = 2.961(D), Expected = 2.92, Std = 0.1900, ChiSquare = 8.2915e-01 2.K6 HE3 = 2.961(D), Expected = 2.91, Std = 0.2000, ChiSquare = 7.9872e-01 2.K6 N = 123.291(D), Expected = 121.05, Std = 3.7700, ChiSquare = 5.5222e-01 2.I7 CA = 59.092(D), Expected = 61.61, Std = 2.6800, ChiSquare = 3.4745e-01 2.I7 CB = 36.678(D), Expected = 38.63, Std = 2.0200, ChiSquare = 3.3388e-01 2.I7 CG1 = 26.728(D), Expected = 27.71, Std = 1.6800, ChiSquare = 5.5887e-01 2.I7 CG2 = 17.899(D), Expected = 17.53, Std = 1.3600, ChiSquare = 7.8614e-01 2.I7 CD1 = 9.955(D), Expected = 13.43, Std = 1.6700, ChiSquare = 3.7449e-02 2.I7 H = 8.395(D), Expected = 8.28, Std = 0.6800, ChiSquare = 8.6570e-01 2.I7 HA = 4.253(D), Expected = 4.18, Std = 0.5600, ChiSquare = 8.9628e-01 2.I7 HB = 1.833(D), Expected = 1.78, Std = 0.2900, ChiSquare = 8.5499e-01 2.I7 HG12 = 1.403(D), Expected = 1.28, Std = 0.4000, ChiSquare = 7.5846e-01 2.I7 HG13 = 1.338(D), Expected = 1.19, Std = 0.4100, ChiSquare = 7.1812e-01 2.I7 HG21 = 0.676(D), Expected = 0.77, Std = 0.2700, ChiSquare = 7.2773e-01 2.I7 HG22 = 0.676(D), Expected = 0.77, Std = 0.2700, ChiSquare = 7.2773e-01 2.I7 HG23 = 0.676(D), Expected = 0.77, Std = 0.2700, ChiSquare = 7.2773e-01 2.I7 HD11 = 0.631(D), Expected = 0.68, Std = 0.2900, ChiSquare = 8.6582e-01 2.I7 HD12 = 0.631(D), Expected = 0.68, Std = 0.2900, ChiSquare = 8.6582e-01 2.I7 HD13 = 0.631(D), Expected = 0.68, Std = 0.2900, ChiSquare = 8.6582e-01 2.I7 N = 125.046(D), Expected = 121.46, Std = 4.2800, ChiSquare = 4.0211e-01 2.I8 CA = 59.267(D), Expected = 61.61, Std = 2.6800, ChiSquare = 3.8198e-01 2.I8 CB = 41.876(D), Expected = 38.63, Std = 2.0200, ChiSquare = 1.0807e-01 2.I8 CG1 = 25.061(D), Expected = 27.71, Std = 1.6800, ChiSquare = 1.1484e-01 2.I8 CG2 = 18.933(D), Expected = 17.53, Std = 1.3600, ChiSquare = 3.0225e-01 2.I8 CD1 = 14.658(D), Expected = 13.43, Std = 1.6700, ChiSquare = 4.6214e-01 2.I8 H = 8.982(D), Expected = 8.28, Std = 0.6800, ChiSquare = 3.0191e-01 2.I8 HA = 4.649(D), Expected = 4.18, Std = 0.5600, ChiSquare = 4.0231e-01 2.I8 HB = 1.588(D), Expected = 1.78, Std = 0.2900, ChiSquare = 5.0793e-01 2.I8 HG12 = 1.301(D), Expected = 1.28, Std = 0.4000, ChiSquare = 9.5813e-01 2.I8 HG13 = 0.877(D), Expected = 1.19, Std = 0.4100, ChiSquare = 4.4522e-01 2.I8 HG21 = 0.927(D), Expected = 0.77, Std = 0.2700, ChiSquare = 5.6092e-01 2.I8 HG22 = 0.927(D), Expected = 0.77, Std = 0.2700, ChiSquare = 5.6092e-01 2.I8 HG23 = 0.927(D), Expected = 0.77, Std = 0.2700, ChiSquare = 5.6092e-01 2.I8 HD11 = 0.591(D), Expected = 0.68, Std = 0.2900, ChiSquare = 7.5892e-01 2.I8 HD12 = 0.591(D), Expected = 0.68, Std = 0.2900, ChiSquare = 7.5892e-01 2.I8 HD13 = 0.591(D), Expected = 0.68, Std = 0.2900, ChiSquare = 7.5892e-01 2.I8 N = 122.993(D), Expected = 121.46, Std = 4.2800, ChiSquare = 7.2021e-01 2.K9 CA = 54.42(D), Expected = 56.95, Std = 2.2000, ChiSquare = 2.5014e-01 2.K9 CB = 32.786(D), Expected = 32.79, Std = 1.7800, ChiSquare = 9.9821e-01 2.K9 CG = 24.61(D), Expected = 24.89, Std = 1.1300, ChiSquare = 8.0430e-01 2.K9 CD = 28.794(D), Expected = 28.96, Std = 1.0800, ChiSquare = 8.7784e-01 2.K9 CE = 41.346(D), Expected = 41.89, Std = 0.8200, ChiSquare = 5.0707e-01 2.K9 H = 8.979(D), Expected = 8.19, Std = 0.6000, ChiSquare = 1.8851e-01 2.K9 HA = 5.382(D), Expected = 4.27, Std = 0.4400, ChiSquare = 1.1495e-02 2.K9 HB2 = 1.772(D), Expected = 1.78, Std = 0.2500, ChiSquare = 9.7447e-01 2.K9 HB3 = 1.589(D), Expected = 1.74, Std = 0.2700, ChiSquare = 5.7598e-01 2.K9 HG2 = 1.422(D), Expected = 1.37, Std = 0.2600, ChiSquare = 8.4148e-01 2.K9 HG3 = 1.228(D), Expected = 1.35, Std = 0.2800, ChiSquare = 6.6304e-01 2.K9 HD2 = 1.605(D), Expected = 1.61, Std = 0.2200, ChiSquare = 9.8187e-01 2.K9 HD3 = 1.605(D), Expected = 1.60, Std = 0.2200, ChiSquare = 9.8187e-01 2.K9 HE2 = 2.897(D), Expected = 2.92, Std = 0.1900, ChiSquare = 9.0365e-01 2.K9 HE3 = 2.897(D), Expected = 2.91, Std = 0.2000, ChiSquare = 9.4817e-01 2.K9 N = 121.06(D), Expected = 121.05, Std = 3.7700, ChiSquare = 9.9788e-01 2.V10 CA = 60.826(D), Expected = 62.49, Std = 2.8600, ChiSquare = 5.6069e-01 2.V10 CB = 35.854(D), Expected = 32.73, Std = 1.7900, ChiSquare = 8.0941e-02 2.V10 CG1 = 21.212(D), Expected = 21.49, Std = 1.3600, ChiSquare = 8.3803e-01 2.V10 CG2 = 22.208(D), Expected = 21.26, Std = 1.5600, ChiSquare = 5.4339e-01 2.V10 H = 9.052(D), Expected = 8.29, Std = 0.6700, ChiSquare = 2.5541e-01 2.V10 HA = 4.583(D), Expected = 4.19, Std = 0.5800, ChiSquare = 4.9803e-01 2.V10 HB = 1.804(D), Expected = 1.98, Std = 0.3200, ChiSquare = 5.8232e-01 2.V10 HG11 = 0.559(D), Expected = 0.83, Std = 0.2600, ChiSquare = 2.9727e-01 2.V10 HG12 = 0.559(D), Expected = 0.83, Std = 0.2600, ChiSquare = 2.9727e-01 2.V10 HG13 = 0.559(D), Expected = 0.83, Std = 0.2600, ChiSquare = 2.9727e-01 2.V10 HG21 = 0.793(D), Expected = 0.80, Std = 0.2800, ChiSquare = 9.8006e-01 2.V10 HG22 = 0.793(D), Expected = 0.80, Std = 0.2800, ChiSquare = 9.8006e-01 2.V10 HG23 = 0.793(D), Expected = 0.80, Std = 0.2800, ChiSquare = 9.8006e-01 2.V10 N = 124.817(D), Expected = 121.14, Std = 4.5400, ChiSquare = 4.1799e-01 2.T11 CA = 62.754(D), Expected = 62.22, Std = 2.5900, ChiSquare = 8.3665e-01 2.T11 CB = 69.275(D), Expected = 69.73, Std = 1.6300, ChiSquare = 7.8014e-01 2.T11 CG2 = 22.068(D), Expected = 21.55, Std = 1.1100, ChiSquare = 6.4074e-01 2.T11 H = 8.624(D), Expected = 8.24, Std = 0.6200, ChiSquare = 5.3568e-01 2.T11 HA = 4.997(D), Expected = 4.46, Std = 0.4800, ChiSquare = 2.6325e-01 2.T11 HB = 4.156(D), Expected = 4.17, Std = 0.3300, ChiSquare = 9.6616e-01 2.T11 HG21 = 1.091(D), Expected = 1.14, Std = 0.2300, ChiSquare = 8.3129e-01 2.T11 HG22 = 1.091(D), Expected = 1.14, Std = 0.2300, ChiSquare = 8.3129e-01 2.T11 HG23 = 1.091(D), Expected = 1.14, Std = 0.2300, ChiSquare = 8.3129e-01 2.T11 N = 124.718(D), Expected = 115.42, Std = 4.7500, ChiSquare = 5.0292e-02 2.V12 CA = 60.623(D), Expected = 62.49, Std = 2.8600, ChiSquare = 5.1389e-01 2.V12 CB = 33.665(D), Expected = 32.73, Std = 1.7900, ChiSquare = 6.0143e-01 2.V12 CG1 = 23.351(D), Expected = 21.49, Std = 1.3600, ChiSquare = 1.7119e-01 2.V12 CG2 = 23.636(D), Expected = 21.26, Std = 1.5600, ChiSquare = 1.2774e-01 2.V12 H = 9.663(D), Expected = 8.29, Std = 0.6700, ChiSquare = 4.0437e-02 2.V12 HA = 4.999(D), Expected = 4.19, Std = 0.5800, ChiSquare = 1.6307e-01 2.V12 HB = 2.259(D), Expected = 1.98, Std = 0.3200, ChiSquare = 3.8328e-01 2.V12 HG11 = 0.875(D), Expected = 0.83, Std = 0.2600, ChiSquare = 8.6259e-01 2.V12 HG12 = 0.875(D), Expected = 0.83, Std = 0.2600, ChiSquare = 8.6259e-01 2.V12 HG13 = 0.875(D), Expected = 0.83, Std = 0.2600, ChiSquare = 8.6259e-01 2.V12 HG21 = 0.671(D), Expected = 0.80, Std = 0.2800, ChiSquare = 6.4500e-01 2.V12 HG22 = 0.671(D), Expected = 0.80, Std = 0.2800, ChiSquare = 6.4500e-01 2.V12 HG23 = 0.671(D), Expected = 0.80, Std = 0.2800, ChiSquare = 6.4500e-01 2.V12 N = 128.045(D), Expected = 121.14, Std = 4.5400, ChiSquare = 1.2828e-01 2.K13 CA = 54.697(D), Expected = 56.95, Std = 2.2000, ChiSquare = 3.0579e-01 2.K13 CB = 37.008(D), Expected = 32.79, Std = 1.7800, ChiSquare = 1.7804e-02 2.K13 CG = 25.395(D), Expected = 24.89, Std = 1.1300, ChiSquare = 6.5495e-01 2.K13 CD = 30.048(D), Expected = 28.96, Std = 1.0800, ChiSquare = 3.1374e-01 2.K13 CE = 41.869(D), Expected = 41.89, Std = 0.8200, ChiSquare = 9.7957e-01 2.K13 H = 8.453(D), Expected = 8.19, Std = 0.6000, ChiSquare = 6.6114e-01 2.K13 HA = 5.298(D), Expected = 4.27, Std = 0.4400, ChiSquare = 1.9472e-02 2.K13 HB2 = 1.592(D), Expected = 1.78, Std = 0.2500, ChiSquare = 4.5205e-01 2.K13 HB3 = 1.32(D), Expected = 1.74, Std = 0.2700, ChiSquare = 1.1981e-01 2.K13 HG2 = 1.428(D), Expected = 1.37, Std = 0.2600, ChiSquare = 8.2348e-01 2.K13 HG3 = 1.428(D), Expected = 1.35, Std = 0.2800, ChiSquare = 7.8057e-01 2.K13 HD2 = 1.592(D), Expected = 1.61, Std = 0.2200, ChiSquare = 9.3479e-01 2.K13 HD3 = 1.592(D), Expected = 1.60, Std = 0.2200, ChiSquare = 9.7099e-01 2.K13 HE2 = 2.933(D), Expected = 2.92, Std = 0.1900, ChiSquare = 9.4545e-01 2.K13 HE3 = 2.933(D), Expected = 2.91, Std = 0.2000, ChiSquare = 9.0845e-01 2.K13 N = 127.039(D), Expected = 121.05, Std = 3.7700, ChiSquare = 1.1215e-01 2.T14 CA = 59.238(D), Expected = 62.22, Std = 2.5900, ChiSquare = 2.4959e-01 2.T14 CB = 68.209(D), Expected = 69.73, Std = 1.6300, ChiSquare = 3.5075e-01 2.T14 CG2 = 22.353(D), Expected = 21.55, Std = 1.1100, ChiSquare = 4.6942e-01 2.T14 H = 9.024(D), Expected = 8.24, Std = 0.6200, ChiSquare = 2.0604e-01 2.T14 HA = 5.41(D), Expected = 4.46, Std = 0.4800, ChiSquare = 4.7797e-02 2.T14 HB = 4.822(D), Expected = 4.17, Std = 0.3300, ChiSquare = 4.8182e-02 2.T14 HG21 = 1.01(D), Expected = 1.14, Std = 0.2300, ChiSquare = 5.7193e-01 2.T14 HG22 = 1.01(D), Expected = 1.14, Std = 0.2300, ChiSquare = 5.7193e-01 2.T14 HG23 = 1.01(D), Expected = 1.14, Std = 0.2300, ChiSquare = 5.7193e-01 2.T14 N = 119.406(D), Expected = 115.42, Std = 4.7500, ChiSquare = 4.0138e-01 2.P15 CA = 65.403(D), Expected = 63.33, Std = 1.5200, ChiSquare = 1.7263e-01 2.P15 CB = 31.991(D), Expected = 31.85, Std = 1.1800, ChiSquare = 9.0489e-01 2.P15 CG = 28.533(D), Expected = 27.17, Std = 1.0900, ChiSquare = 2.1113e-01 2.P15 CD = 50.802(D), Expected = 50.32, Std = 0.9900, ChiSquare = 6.2635e-01 2.P15 HA = 4.45(D), Expected = 4.40, Std = 0.3300, ChiSquare = 8.7957e-01 2.P15 HB2 = 2.508(D), Expected = 2.08, Std = 0.3500, ChiSquare = 2.2138e-01 2.P15 HB3 = 1.81(D), Expected = 2.00, Std = 0.3600, ChiSquare = 5.9765e-01 2.P15 HG2 = 2.044(D), Expected = 1.93, Std = 0.3100, ChiSquare = 7.1307e-01 2.P15 HG3 = 2.044(D), Expected = 1.90, Std = 0.3300, ChiSquare = 6.6257e-01 2.P15 HD2 = 4.279(D), Expected = 3.65, Std = 0.3500, ChiSquare = 7.2313e-02 2.P15 HD3 = 3.788(D), Expected = 3.61, Std = 0.3900, ChiSquare = 6.4809e-01 2.K16 CA = 55.89(D), Expected = 56.95, Std = 2.2000, ChiSquare = 6.2993e-01 2.K16 CB = 35.551(D), Expected = 32.79, Std = 1.7800, ChiSquare = 1.2087e-01 2.K16 CG = 24.61(D), Expected = 24.89, Std = 1.1300, ChiSquare = 8.0430e-01 2.K16 CD = 28.794(D), Expected = 28.96, Std = 1.0800, ChiSquare = 8.7784e-01 2.K16 CE = 41.607(D), Expected = 41.89, Std = 0.8200, ChiSquare = 7.3000e-01 2.K16 H = 7.843(D), Expected = 8.19, Std = 0.6000, ChiSquare = 5.6304e-01 2.K16 HA = 4.564(D), Expected = 4.27, Std = 0.4400, ChiSquare = 5.0402e-01 2.K16 HB2 = 1.913(D), Expected = 1.78, Std = 0.2500, ChiSquare = 5.9473e-01 2.K16 HB3 = 1.787(D), Expected = 1.74, Std = 0.2700, ChiSquare = 8.6181e-01 2.K16 HG2 = 1.44(D), Expected = 1.37, Std = 0.2600, ChiSquare = 7.8775e-01 2.K16 HG3 = 1.357(D), Expected = 1.35, Std = 0.2800, ChiSquare = 9.8006e-01 2.K16 HD2 = 1.699(D), Expected = 1.61, Std = 0.2200, ChiSquare = 6.8581e-01 2.K16 HD3 = 1.699(D), Expected = 1.60, Std = 0.2200, ChiSquare = 6.5271e-01 2.K16 HE2 = 2.997(D), Expected = 2.92, Std = 0.1900, ChiSquare = 6.8528e-01 2.K16 HE3 = 2.997(D), Expected = 2.91, Std = 0.2000, ChiSquare = 6.6356e-01 2.K16 N = 111.541(D), Expected = 121.05, Std = 3.7700, ChiSquare = 1.1660e-02 2.E17 CA = 55.489(D), Expected = 57.32, Std = 2.0900, ChiSquare = 3.8099e-01 2.E17 CB = 33.728(D), Expected = 30.01, Std = 1.7200, ChiSquare = 3.0647e-02 2.E17 CG = 35.883(D), Expected = 36.11, Std = 1.1900, ChiSquare = 8.4872e-01 2.E17 H = 8.014(D), Expected = 8.33, Std = 0.5900, ChiSquare = 5.9224e-01 2.E17 HA = 4.808(D), Expected = 4.25, Std = 0.4100, ChiSquare = 1.7352e-01 2.E17 HB2 = 2.163(D), Expected = 2.02, Std = 0.2100, ChiSquare = 4.9590e-01 2.E17 HB3 = 2.163(D), Expected = 1.99, Std = 0.2300, ChiSquare = 4.5195e-01 2.E17 HG2 = 2.222(D), Expected = 2.27, Std = 0.2100, ChiSquare = 8.1920e-01 2.E17 HG3 = 2.155(D), Expected = 2.25, Std = 0.2200, ChiSquare = 6.6587e-01 2.E17 N = 118.212(D), Expected = 120.67, Std = 3.4800, ChiSquare = 4.7999e-01 2.K18 CA = 55.205(D), Expected = 56.95, Std = 2.2000, ChiSquare = 4.2767e-01 2.K18 CB = 35.612(D), Expected = 32.79, Std = 1.7800, ChiSquare = 1.1288e-01 2.K18 CG = 24.349(D), Expected = 24.89, Std = 1.1300, ChiSquare = 6.3211e-01 2.K18 CD = 29.579(D), Expected = 28.96, Std = 1.0800, ChiSquare = 5.6654e-01 2.K18 CE = 41.607(D), Expected = 41.89, Std = 0.8200, ChiSquare = 7.3000e-01 2.K18 H = 8.523(D), Expected = 8.19, Std = 0.6000, ChiSquare = 5.7889e-01 2.K18 HA = 5.433(D), Expected = 4.27, Std = 0.4400, ChiSquare = 8.2131e-03 2.K18 HB2 = 1.8(D), Expected = 1.78, Std = 0.2500, ChiSquare = 9.3624e-01 2.K18 HB3 = 1.672(D), Expected = 1.74, Std = 0.2700, ChiSquare = 8.0116e-01 2.K18 HG2 = 1.296(D), Expected = 1.37, Std = 0.2600, ChiSquare = 7.7594e-01 2.K18 HG3 = 1.296(D), Expected = 1.35, Std = 0.2800, ChiSquare = 8.4707e-01 2.K18 HD2 = 1.606(D), Expected = 1.61, Std = 0.2200, ChiSquare = 9.8549e-01 2.K18 HD3 = 1.606(D), Expected = 1.60, Std = 0.2200, ChiSquare = 9.7824e-01 2.K18 HE2 = 2.923(D), Expected = 2.92, Std = 0.1900, ChiSquare = 9.8740e-01 2.K18 HE3 = 2.923(D), Expected = 2.91, Std = 0.2000, ChiSquare = 9.4817e-01 2.K18 N = 119.055(D), Expected = 121.05, Std = 3.7700, ChiSquare = 5.9668e-01 2.E19 CA = 54.159(D), Expected = 57.32, Std = 2.0900, ChiSquare = 1.3042e-01 2.E19 CB = 34.678(D), Expected = 30.01, Std = 1.7200, ChiSquare = 6.6486e-03 2.E19 CG = 35.331(D), Expected = 36.11, Std = 1.1900, ChiSquare = 5.1271e-01 2.E19 H = 8.915(D), Expected = 8.33, Std = 0.5900, ChiSquare = 3.2143e-01 2.E19 HA = 4.601(D), Expected = 4.25, Std = 0.4100, ChiSquare = 3.9194e-01 2.E19 HB2 = 1.775(D), Expected = 2.02, Std = 0.2100, ChiSquare = 2.4334e-01 2.E19 HB3 = 1.775(D), Expected = 1.99, Std = 0.2300, ChiSquare = 3.4990e-01 2.E19 HG2 = 1.753(D), Expected = 2.27, Std = 0.2100, ChiSquare = 1.3820e-02 2.E19 HG3 = 1.589(D), Expected = 2.25, Std = 0.2200, ChiSquare = 2.6598e-03 2.E19 N = 122.553(D), Expected = 120.67, Std = 3.4800, ChiSquare = 5.8844e-01 2.E20 CA = 55.073(D), Expected = 57.32, Std = 2.0900, ChiSquare = 2.8232e-01 2.E20 CB = 32.455(D), Expected = 30.01, Std = 1.7200, ChiSquare = 1.5517e-01 2.E20 CG = 37.162(D), Expected = 36.11, Std = 1.1900, ChiSquare = 3.7668e-01 2.E20 H = 8.8(D), Expected = 8.33, Std = 0.5900, ChiSquare = 4.2568e-01 2.E20 HA = 5.074(D), Expected = 4.25, Std = 0.4100, ChiSquare = 4.4457e-02 2.E20 HB2 = 1.832(D), Expected = 2.02, Std = 0.2100, ChiSquare = 3.7066e-01 2.E20 HB3 = 1.832(D), Expected = 1.99, Std = 0.2300, ChiSquare = 4.9211e-01 2.E20 HG2 = 2.059(D), Expected = 2.27, Std = 0.2100, ChiSquare = 3.1501e-01 2.E20 HG3 = 2.059(D), Expected = 2.25, Std = 0.2200, ChiSquare = 3.8530e-01 2.E20 N = 123.837(D), Expected = 120.67, Std = 3.4800, ChiSquare = 3.6279e-01 2.F21 CA = 57.095(D), Expected = 58.08, Std = 2.5700, ChiSquare = 7.0152e-01 2.F21 CB = 41.876(D), Expected = 39.99, Std = 2.0900, ChiSquare = 3.6685e-01 2.F21 H = 9.159(D), Expected = 8.36, Std = 0.7200, ChiSquare = 2.6712e-01 2.F21 HA = 4.72(D), Expected = 4.63, Std = 0.5700, ChiSquare = 8.7454e-01 2.F21 HB2 = 3.009(D), Expected = 3.00, Std = 0.3700, ChiSquare = 9.8059e-01 2.F21 HB3 = 2.946(D), Expected = 2.93, Std = 0.4000, ChiSquare = 9.6809e-01 2.F21 HD1 = 7.379(D), Expected = 7.06, Std = 0.3100, ChiSquare = 3.0346e-01 2.F21 HD2 = 7.379(D), Expected = 7.06, Std = 0.3100, ChiSquare = 3.0346e-01 2.F21 HE1 = 7.13(D), Expected = 7.08, Std = 0.3100, ChiSquare = 8.7186e-01 2.F21 HE2 = 7.13(D), Expected = 7.08, Std = 0.3200, ChiSquare = 8.7584e-01 2.F21 HZ = 6.844(D), Expected = 7.00, Std = 0.4200, ChiSquare = 7.1032e-01 2.F21 N = 123.395(D), Expected = 120.45, Std = 4.1800, ChiSquare = 4.8109e-01 2.A22 CA = 50.266(D), Expected = 53.14, Std = 1.9800, ChiSquare = 1.4664e-01 2.A22 CB = 18.363(D), Expected = 19.01, Std = 1.8300, ChiSquare = 7.2367e-01 2.A22 H = 8.638(D), Expected = 8.20, Std = 0.6000, ChiSquare = 4.6539e-01 2.A22 HA = 5.427(D), Expected = 4.26, Std = 0.4400, ChiSquare = 7.9952e-03 2.A22 HB1 = 1.206(D), Expected = 1.35, Std = 0.2600, ChiSquare = 5.7968e-01 2.A22 HB2 = 1.206(D), Expected = 1.35, Std = 0.2600, ChiSquare = 5.7968e-01 2.A22 HB3 = 1.206(D), Expected = 1.35, Std = 0.2600, ChiSquare = 5.7968e-01 2.A22 N = 126.711(D), Expected = 123.23, Std = 3.5400, ChiSquare = 3.2544e-01 2.V23 CA = 57.102(D), Expected = 62.49, Std = 2.8600, ChiSquare = 5.9577e-02 2.V23 CB = 34.802(D), Expected = 32.73, Std = 1.7900, ChiSquare = 2.4705e-01 2.V23 CG1 = 21.641(D), Expected = 21.49, Std = 1.3600, ChiSquare = 9.1159e-01 2.V23 CG2 = 18.22(D), Expected = 21.26, Std = 1.5600, ChiSquare = 5.1329e-02 2.V23 H = 9.217(D), Expected = 8.29, Std = 0.6700, ChiSquare = 1.6649e-01 2.V23 HA = 4.997(D), Expected = 4.19, Std = 0.5800, ChiSquare = 1.6411e-01 2.V23 HB = 2.006(D), Expected = 1.98, Std = 0.3200, ChiSquare = 9.3524e-01 2.V23 HG11 = 0.765(D), Expected = 0.83, Std = 0.2600, ChiSquare = 8.0259e-01 2.V23 HG12 = 0.765(D), Expected = 0.83, Std = 0.2600, ChiSquare = 8.0259e-01 2.V23 HG13 = 0.765(D), Expected = 0.83, Std = 0.2600, ChiSquare = 8.0259e-01 2.V23 HG21 = 0.507(D), Expected = 0.80, Std = 0.2800, ChiSquare = 2.9536e-01 2.V23 HG22 = 0.507(D), Expected = 0.80, Std = 0.2800, ChiSquare = 2.9536e-01 2.V23 HG23 = 0.507(D), Expected = 0.80, Std = 0.2800, ChiSquare = 2.9536e-01 2.V23 N = 120.247(D), Expected = 121.14, Std = 4.5400, ChiSquare = 8.4407e-01 2.P24 CA = 62.758(D), Expected = 63.33, Std = 1.5200, ChiSquare = 7.0668e-01 2.P24 CB = 32.045(D), Expected = 31.85, Std = 1.1800, ChiSquare = 8.6874e-01 2.P24 CG = 28.01(D), Expected = 27.17, Std = 1.0900, ChiSquare = 4.4092e-01 2.P24 CD = 50.759(D), Expected = 50.32, Std = 0.9900, ChiSquare = 6.5745e-01 2.P24 HA = 4.684(D), Expected = 4.40, Std = 0.3300, ChiSquare = 3.8946e-01 2.P24 HB2 = 2.229(D), Expected = 2.08, Std = 0.3500, ChiSquare = 6.7032e-01 2.P24 HB3 = 1.898(D), Expected = 2.00, Std = 0.3600, ChiSquare = 7.7692e-01 2.P24 HG2 = 2.145(D), Expected = 1.93, Std = 0.3100, ChiSquare = 4.8797e-01 2.P24 HG3 = 1.923(D), Expected = 1.90, Std = 0.3300, ChiSquare = 9.4444e-01 2.P24 HD2 = 3.84(D), Expected = 3.65, Std = 0.3500, ChiSquare = 5.8723e-01 2.P24 HD3 = 3.606(D), Expected = 3.61, Std = 0.3900, ChiSquare = 9.9182e-01 2.E25 CA = 58.15(D), Expected = 57.32, Std = 2.0900, ChiSquare = 6.9127e-01 2.E25 CB = 28.533(D), Expected = 30.01, Std = 1.7200, ChiSquare = 3.9049e-01 2.E25 CG = 35.07(D), Expected = 36.11, Std = 1.1900, ChiSquare = 3.8215e-01 2.E25 H = 9.116(D), Expected = 8.33, Std = 0.5900, ChiSquare = 1.8279e-01 2.E25 HA = 3.875(D), Expected = 4.25, Std = 0.4100, ChiSquare = 3.6038e-01 2.E25 HB2 = 2.151(D), Expected = 2.02, Std = 0.2100, ChiSquare = 5.3275e-01 2.E25 HB3 = 1.995(D), Expected = 1.99, Std = 0.2300, ChiSquare = 9.8266e-01 2.E25 HG2 = 2.448(D), Expected = 2.27, Std = 0.2100, ChiSquare = 3.9665e-01 2.E25 HG3 = 2.095(D), Expected = 2.25, Std = 0.2200, ChiSquare = 4.8109e-01 2.E25 N = 122.801(D), Expected = 120.67, Std = 3.4800, ChiSquare = 5.4030e-01 2.N26 CA = 51.547(D), Expected = 53.54, Std = 1.8800, ChiSquare = 2.8910e-01 2.N26 CB = 37.172(D), Expected = 38.69, Std = 1.6900, ChiSquare = 3.6907e-01 2.N26 H = 7.792(D), Expected = 8.34, Std = 0.6300, ChiSquare = 3.8439e-01 2.N26 HA = 4.693(D), Expected = 4.67, Std = 0.3600, ChiSquare = 9.4906e-01 2.N26 HB2 = 3.209(D), Expected = 2.81, Std = 0.3100, ChiSquare = 1.9806e-01 2.N26 HB3 = 2.75(D), Expected = 2.75, Std = 0.3300, ChiSquare = 1.0000e+00 2.N26 HD21 = 7.572(D), Expected = 7.35, Std = 0.4800, ChiSquare = 6.4372e-01 2.N26 HD22 = 6.807(D), Expected = 7.14, Std = 0.4900, ChiSquare = 4.9676e-01 2.N26 N = 113.712(D), Expected = 118.93, Std = 4.0300, ChiSquare = 1.9539e-01 2.N26 ND2 = 110.609(D), Expected = 112.75, Std = 2.2300, ChiSquare = 3.3701e-01 2.S27 CA = 59.668(D), Expected = 58.72, Std = 2.0700, ChiSquare = 6.4697e-01 2.S27 CB = 64.731(D), Expected = 63.80, Std = 1.4800, ChiSquare = 5.2931e-01 2.S27 H = 7.438(D), Expected = 8.28, Std = 0.5900, ChiSquare = 1.5355e-01 2.S27 HA = 4.277(D), Expected = 4.48, Std = 0.4000, ChiSquare = 6.1180e-01 2.S27 HB2 = 3.765(D), Expected = 3.88, Std = 0.2500, ChiSquare = 6.4552e-01 2.S27 HB3 = 3.724(D), Expected = 3.85, Std = 0.2700, ChiSquare = 6.4074e-01 2.S27 HG = 5.482(D), Expected = 5.36, Std = 1.0300, ChiSquare = 9.0571e-01 2.S27 N = 113.218(D), Expected = 116.28, Std = 3.5200, ChiSquare = 3.8436e-01 2.S28 CA = 56.955(D), Expected = 58.72, Std = 2.0700, ChiSquare = 3.9385e-01 2.S28 CB = 64.98(D), Expected = 63.80, Std = 1.4800, ChiSquare = 4.2528e-01 2.S28 H = 8.873(D), Expected = 8.28, Std = 0.5900, ChiSquare = 3.1486e-01 2.S28 HA = 5.045(D), Expected = 4.48, Std = 0.4000, ChiSquare = 1.5780e-01 2.S28 HB2 = 4.428(D), Expected = 3.88, Std = 0.2500, ChiSquare = 2.8380e-02 2.S28 HB3 = 4.091(D), Expected = 3.85, Std = 0.2700, ChiSquare = 3.7208e-01 2.S28 HG = 5.966(D), Expected = 5.36, Std = 1.0300, ChiSquare = 5.5630e-01 2.S28 N = 119.675(D), Expected = 116.28, Std = 3.5200, ChiSquare = 3.3480e-01 2.V29 CA = 66.96(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.1807e-01 2.V29 CB = 30.559(D), Expected = 32.73, Std = 1.7900, ChiSquare = 2.2519e-01 2.V29 CG1 = 24.989(D), Expected = 21.49, Std = 1.3600, ChiSquare = 1.0088e-02 2.V29 CG2 = 21.356(D), Expected = 21.26, Std = 1.5600, ChiSquare = 9.5093e-01 2.V29 H = 9.192(D), Expected = 8.29, Std = 0.6700, ChiSquare = 1.7822e-01 2.V29 HA = 3.509(D), Expected = 4.19, Std = 0.5800, ChiSquare = 2.4034e-01 2.V29 HB = 2.644(D), Expected = 1.98, Std = 0.3200, ChiSquare = 3.7987e-02 2.V29 HG11 = 0.811(D), Expected = 0.83, Std = 0.2600, ChiSquare = 9.4175e-01 2.V29 HG12 = 0.811(D), Expected = 0.83, Std = 0.2600, ChiSquare = 9.4175e-01 2.V29 HG13 = 0.811(D), Expected = 0.83, Std = 0.2600, ChiSquare = 9.4175e-01 2.V29 HG21 = 0.761(D), Expected = 0.80, Std = 0.2800, ChiSquare = 8.8922e-01 2.V29 HG22 = 0.761(D), Expected = 0.80, Std = 0.2800, ChiSquare = 8.8922e-01 2.V29 HG23 = 0.761(D), Expected = 0.80, Std = 0.2800, ChiSquare = 8.8922e-01 2.V29 N = 125.539(D), Expected = 121.14, Std = 4.5400, ChiSquare = 3.3257e-01 2.Q30 CA = 59.851(D), Expected = 56.57, Std = 2.1400, ChiSquare = 1.2523e-01 2.Q30 CB = 28.794(D), Expected = 29.19, Std = 1.8200, ChiSquare = 8.2775e-01 2.Q30 CG = 32.91(D), Expected = 33.76, Std = 1.1100, ChiSquare = 4.4382e-01 2.Q30 H = 8.826(D), Expected = 8.22, Std = 0.5900, ChiSquare = 3.0436e-01 2.Q30 HA = 3.822(D), Expected = 4.27, Std = 0.4400, ChiSquare = 3.0859e-01 2.Q30 HB2 = 2.087(D), Expected = 2.05, Std = 0.2500, ChiSquare = 8.8234e-01 2.Q30 HB3 = 1.998(D), Expected = 2.02, Std = 0.2800, ChiSquare = 9.3737e-01 2.Q30 HG2 = 2.292(D), Expected = 2.32, Std = 0.2700, ChiSquare = 9.1740e-01 2.Q30 HG3 = 2.338(D), Expected = 2.29, Std = 0.2900, ChiSquare = 8.6854e-01 2.Q30 HE21 = 7.582(D), Expected = 7.24, Std = 0.4500, ChiSquare = 4.4725e-01 2.Q30 HE22 = 6.713(D), Expected = 7.02, Std = 0.4400, ChiSquare = 4.8535e-01 2.Q30 N = 121.161(D), Expected = 119.89, Std = 3.6000, ChiSquare = 7.2405e-01 2.Q30 NE2 = 111.452(D), Expected = 111.87, Std = 1.7200, ChiSquare = 8.0799e-01 2.Q31 CA = 58.659(D), Expected = 56.57, Std = 2.1400, ChiSquare = 3.2898e-01 2.Q31 CB = 28.517(D), Expected = 29.19, Std = 1.8200, ChiSquare = 7.1155e-01 2.Q31 CG = 34.6(D), Expected = 33.76, Std = 1.1100, ChiSquare = 4.4920e-01 2.Q31 H = 7.943(D), Expected = 8.22, Std = 0.5900, ChiSquare = 6.3872e-01 2.Q31 HA = 4.031(D), Expected = 4.27, Std = 0.4400, ChiSquare = 5.8700e-01 2.Q31 HB2 = 2.315(D), Expected = 2.05, Std = 0.2500, ChiSquare = 2.8914e-01 2.Q31 HB3 = 2.093(D), Expected = 2.02, Std = 0.2800, ChiSquare = 7.9431e-01 2.Q31 HG2 = 2.479(D), Expected = 2.32, Std = 0.2700, ChiSquare = 5.5594e-01 2.Q31 HG3 = 2.431(D), Expected = 2.29, Std = 0.2900, ChiSquare = 6.2682e-01 2.Q31 HE21 = 7.609(D), Expected = 7.24, Std = 0.4500, ChiSquare = 4.1222e-01 2.Q31 HE22 = 6.838(D), Expected = 7.02, Std = 0.4400, ChiSquare = 6.7914e-01 2.Q31 N = 118.068(D), Expected = 119.89, Std = 3.6000, ChiSquare = 6.1278e-01 2.Q31 NE2 = 112.024(D), Expected = 111.87, Std = 1.7200, ChiSquare = 9.2866e-01 2.F32 CA = 57.812(D), Expected = 58.08, Std = 2.5700, ChiSquare = 9.1695e-01 2.F32 CB = 39.011(D), Expected = 39.99, Std = 2.0900, ChiSquare = 6.3948e-01 2.F32 H = 8.312(D), Expected = 8.36, Std = 0.7200, ChiSquare = 9.4685e-01 2.F32 HA = 4.635(D), Expected = 4.63, Std = 0.5700, ChiSquare = 9.9300e-01 2.F32 HB2 = 3.181(D), Expected = 3.00, Std = 0.3700, ChiSquare = 6.2471e-01 2.F32 HB3 = 3.026(D), Expected = 2.93, Std = 0.4000, ChiSquare = 8.1033e-01 2.F32 HD1 = 6.97(D), Expected = 7.06, Std = 0.3100, ChiSquare = 7.7157e-01 2.F32 HD2 = 6.97(D), Expected = 7.06, Std = 0.3100, ChiSquare = 7.7157e-01 2.F32 HE1 = 6.702(D), Expected = 7.08, Std = 0.3100, ChiSquare = 2.2271e-01 2.F32 HE2 = 6.702(D), Expected = 7.08, Std = 0.3200, ChiSquare = 2.3750e-01 2.F32 HZ = 7.085(D), Expected = 7.00, Std = 0.4200, ChiSquare = 8.3962e-01 2.F32 N = 123.053(D), Expected = 120.45, Std = 4.1800, ChiSquare = 5.3346e-01 2.K33 CA = 60.41(D), Expected = 56.95, Std = 2.2000, ChiSquare = 1.1578e-01 2.K33 CB = 33.216(D), Expected = 32.79, Std = 1.7800, ChiSquare = 8.1085e-01 2.K33 CG = 28.01(D), Expected = 24.89, Std = 1.1300, ChiSquare = 5.7614e-03 2.K33 CD = 30.048(D), Expected = 28.96, Std = 1.0800, ChiSquare = 3.1374e-01 2.K33 CE = 41.869(D), Expected = 41.89, Std = 0.8200, ChiSquare = 9.7957e-01 2.K33 H = 8.96(D), Expected = 8.19, Std = 0.6000, ChiSquare = 1.9938e-01 2.K33 HA = 3.393(D), Expected = 4.27, Std = 0.4400, ChiSquare = 4.6242e-02 2.K33 HB2 = 2.073(D), Expected = 1.78, Std = 0.2500, ChiSquare = 2.4120e-01 2.K33 HB3 = 1.56(D), Expected = 1.74, Std = 0.2700, ChiSquare = 5.0499e-01 2.K33 HG2 = 1.661(D), Expected = 1.37, Std = 0.2600, ChiSquare = 2.6304e-01 2.K33 HG3 = 0.764(D), Expected = 1.35, Std = 0.2800, ChiSquare = 3.6362e-02 2.K33 HD2 = 1.717(D), Expected = 1.61, Std = 0.2200, ChiSquare = 6.2671e-01 2.K33 HD3 = 1.717(D), Expected = 1.60, Std = 0.2200, ChiSquare = 5.9485e-01 2.K33 HE2 = 2.683(D), Expected = 2.92, Std = 0.1900, ChiSquare = 2.1226e-01 2.K33 HE3 = 2.538(D), Expected = 2.91, Std = 0.2000, ChiSquare = 6.2886e-02 2.K33 N = 117.463(D), Expected = 121.05, Std = 3.7700, ChiSquare = 3.4137e-01 2.E34 CA = 59.736(D), Expected = 57.32, Std = 2.0900, ChiSquare = 2.4769e-01 2.E34 CB = 28.831(D), Expected = 30.01, Std = 1.7200, ChiSquare = 4.9305e-01 2.E34 CG = 36.116(D), Expected = 36.11, Std = 1.1900, ChiSquare = 9.9598e-01 2.E34 H = 7.728(D), Expected = 8.33, Std = 0.5900, ChiSquare = 3.0757e-01 2.E34 HA = 3.82(D), Expected = 4.25, Std = 0.4100, ChiSquare = 2.9428e-01 2.E34 HB2 = 2.22(D), Expected = 2.02, Std = 0.2100, ChiSquare = 3.4090e-01 2.E34 HB3 = 2.093(D), Expected = 1.99, Std = 0.2300, ChiSquare = 6.5428e-01 2.E34 HG2 = 2.474(D), Expected = 2.27, Std = 0.2100, ChiSquare = 3.3134e-01 2.E34 HG3 = 2.274(D), Expected = 2.25, Std = 0.2200, ChiSquare = 9.1313e-01 2.E34 N = 118.493(D), Expected = 120.67, Std = 3.4800, ChiSquare = 5.3159e-01 2.A35 CA = 54.852(D), Expected = 53.14, Std = 1.9800, ChiSquare = 3.8723e-01 2.A35 CB = 17.653(D), Expected = 19.01, Std = 1.8300, ChiSquare = 4.5837e-01 2.A35 H = 7.439(D), Expected = 8.20, Std = 0.6000, ChiSquare = 2.0468e-01 2.A35 HA = 4.233(D), Expected = 4.26, Std = 0.4400, ChiSquare = 9.5107e-01 2.A35 HB1 = 1.601(D), Expected = 1.35, Std = 0.2600, ChiSquare = 3.3435e-01 2.A35 HB2 = 1.601(D), Expected = 1.35, Std = 0.2600, ChiSquare = 3.3435e-01 2.A35 HB3 = 1.601(D), Expected = 1.35, Std = 0.2600, ChiSquare = 3.3435e-01 2.A35 N = 122(D), Expected = 123.23, Std = 3.5400, ChiSquare = 7.2825e-01 2.I36 CA = 63.838(D), Expected = 61.61, Std = 2.6800, ChiSquare = 4.0578e-01 2.I36 CB = 38.185(D), Expected = 38.63, Std = 2.0200, ChiSquare = 8.2564e-01 2.I36 CG1 = 27.225(D), Expected = 27.71, Std = 1.6800, ChiSquare = 7.7282e-01 2.I36 CG2 = 17.793(D), Expected = 17.53, Std = 1.3600, ChiSquare = 8.4666e-01 2.I36 CD1 = 14.32(D), Expected = 13.43, Std = 1.6700, ChiSquare = 5.9408e-01 2.I36 H = 7.813(D), Expected = 8.28, Std = 0.6800, ChiSquare = 4.9223e-01 2.I36 HA = 3.723(D), Expected = 4.18, Std = 0.5600, ChiSquare = 4.1446e-01 2.I36 HB = 1.377(D), Expected = 1.78, Std = 0.2900, ChiSquare = 1.6463e-01 2.I36 HG12 = 0.682(D), Expected = 1.28, Std = 0.4000, ChiSquare = 1.3491e-01 2.I36 HG13 = 0.122(D), Expected = 1.19, Std = 0.4100, ChiSquare = 9.1907e-03 2.I36 HG21 = 0.067(D), Expected = 0.77, Std = 0.2700, ChiSquare = 9.2222e-03 2.I36 HG22 = 0.067(D), Expected = 0.77, Std = 0.2700, ChiSquare = 9.2222e-03 2.I36 HG23 = 0.067(D), Expected = 0.77, Std = 0.2700, ChiSquare = 9.2222e-03 2.I36 HD11 = -0.243(D), Expected = 0.68, Std = 0.2900, ChiSquare = 1.4588e-03 2.I36 HD12 = -0.243(D), Expected = 0.68, Std = 0.2900, ChiSquare = 1.4588e-03 2.I36 HD13 = -0.243(D), Expected = 0.68, Std = 0.2900, ChiSquare = 1.4588e-03 2.I36 N = 116.805(D), Expected = 121.46, Std = 4.2800, ChiSquare = 2.7676e-01 2.S37 CA = 61.835(D), Expected = 58.72, Std = 2.0700, ChiSquare = 1.3237e-01 2.S37 CB = 62.157(D), Expected = 63.80, Std = 1.4800, ChiSquare = 2.6694e-01 2.S37 H = 8.285(D), Expected = 8.28, Std = 0.5900, ChiSquare = 9.9324e-01 2.S37 HA = 3.871(D), Expected = 4.48, Std = 0.4000, ChiSquare = 1.2788e-01 2.S37 HB2 = 4.012(D), Expected = 3.88, Std = 0.2500, ChiSquare = 5.9750e-01 2.S37 HB3 = 3.878(D), Expected = 3.85, Std = 0.2700, ChiSquare = 9.1740e-01 2.S37 HG = 5.058(D), Expected = 5.36, Std = 1.0300, ChiSquare = 7.6937e-01 2.S37 N = 116.287(D), Expected = 116.28, Std = 3.5200, ChiSquare = 9.9841e-01 2.K38 CA = 58.547(D), Expected = 56.95, Std = 2.2000, ChiSquare = 4.6789e-01 2.K38 CB = 31.96(D), Expected = 32.79, Std = 1.7800, ChiSquare = 6.4101e-01 2.K38 CG = 25.026(D), Expected = 24.89, Std = 1.1300, ChiSquare = 9.0420e-01 2.K38 CD = 28.844(D), Expected = 28.96, Std = 1.0800, ChiSquare = 9.1447e-01 2.K38 CE = 41.908(D), Expected = 41.89, Std = 0.8200, ChiSquare = 9.8249e-01 2.K38 H = 7.348(D), Expected = 8.19, Std = 0.6000, ChiSquare = 1.6052e-01 2.K38 HA = 4.2(D), Expected = 4.27, Std = 0.4400, ChiSquare = 8.7360e-01 2.K38 HB2 = 1.949(D), Expected = 1.78, Std = 0.2500, ChiSquare = 4.9904e-01 2.K38 HB3 = 1.949(D), Expected = 1.74, Std = 0.2700, ChiSquare = 4.3889e-01 2.K38 HG2 = 1.656(D), Expected = 1.37, Std = 0.2600, ChiSquare = 2.7133e-01 2.K38 HG3 = 1.521(D), Expected = 1.35, Std = 0.2800, ChiSquare = 5.4139e-01 2.K38 HD2 = 1.736(D), Expected = 1.61, Std = 0.2200, ChiSquare = 5.6683e-01 2.K38 HD3 = 1.736(D), Expected = 1.60, Std = 0.2200, ChiSquare = 5.3646e-01 2.K38 HE2 = 3.015(D), Expected = 2.92, Std = 0.1900, ChiSquare = 6.1707e-01 2.K38 HE3 = 3.015(D), Expected = 2.91, Std = 0.2000, ChiSquare = 5.9958e-01 2.K38 N = 119.605(D), Expected = 121.05, Std = 3.7700, ChiSquare = 7.0151e-01 2.R39 CA = 56.774(D), Expected = 56.77, Std = 2.3100, ChiSquare = 9.9862e-01 2.R39 CB = 29.056(D), Expected = 30.70, Std = 1.8300, ChiSquare = 3.6899e-01 2.R39 CG = 25.395(D), Expected = 27.21, Std = 1.2000, ChiSquare = 1.3041e-01 2.R39 CD = 40.561(D), Expected = 43.16, Std = 0.8800, ChiSquare = 3.1429e-03 2.R39 H = 7.734(D), Expected = 8.24, Std = 0.6100, ChiSquare = 4.0682e-01 2.R39 HA = 4.16(D), Expected = 4.30, Std = 0.4600, ChiSquare = 7.6086e-01 2.R39 HB2 = 2.065(D), Expected = 1.79, Std = 0.2700, ChiSquare = 3.0843e-01 2.R39 HB3 = 1.956(D), Expected = 1.76, Std = 0.2800, ChiSquare = 4.8393e-01 2.R39 HG2 = 1.281(D), Expected = 1.57, Std = 0.2700, ChiSquare = 2.8445e-01 2.R39 HG3 = 1.281(D), Expected = 1.54, Std = 0.2900, ChiSquare = 3.7180e-01 2.R39 HD2 = 3.097(D), Expected = 3.12, Std = 0.2400, ChiSquare = 9.2365e-01 2.R39 HD3 = 2.951(D), Expected = 3.10, Std = 0.2600, ChiSquare = 5.6659e-01 2.R39 N = 120.047(D), Expected = 120.80, Std = 3.6800, ChiSquare = 8.3787e-01 2.F40 CA = 58.345(D), Expected = 58.08, Std = 2.5700, ChiSquare = 9.1787e-01 2.F40 CB = 37.997(D), Expected = 39.99, Std = 2.0900, ChiSquare = 3.4029e-01 2.F40 H = 8.045(D), Expected = 8.36, Std = 0.7200, ChiSquare = 6.6175e-01 2.F40 HA = 4.518(D), Expected = 4.63, Std = 0.5700, ChiSquare = 8.4423e-01 2.F40 HB2 = 3.286(D), Expected = 3.00, Std = 0.3700, ChiSquare = 4.3954e-01 2.F40 HB3 = 2.451(D), Expected = 2.93, Std = 0.4000, ChiSquare = 2.3111e-01 2.F40 HD1 = 7.342(D), Expected = 7.06, Std = 0.3100, ChiSquare = 3.6299e-01 2.F40 HD2 = 7.342(D), Expected = 7.06, Std = 0.3100, ChiSquare = 3.6299e-01 2.F40 HE1 = 7.093(D), Expected = 7.08, Std = 0.3100, ChiSquare = 9.6655e-01 2.F40 HE2 = 7.093(D), Expected = 7.08, Std = 0.3200, ChiSquare = 9.6760e-01 2.F40 HZ = 6.995(D), Expected = 7.00, Std = 0.4200, ChiSquare = 9.9050e-01 2.F40 N = 114.3(D), Expected = 120.45, Std = 4.1800, ChiSquare = 1.4121e-01 2.K41 CA = 57.045(D), Expected = 56.95, Std = 2.2000, ChiSquare = 9.6556e-01 2.K41 CB = 29.317(D), Expected = 32.79, Std = 1.7800, ChiSquare = 5.1042e-02 2.K41 CG = 24.872(D), Expected = 24.89, Std = 1.1300, ChiSquare = 9.8729e-01 2.K41 CD = 29.056(D), Expected = 28.96, Std = 1.0800, ChiSquare = 9.2917e-01 2.K41 CE = 41.869(D), Expected = 41.89, Std = 0.8200, ChiSquare = 9.7957e-01 2.K41 H = 7.863(D), Expected = 8.19, Std = 0.6000, ChiSquare = 5.8575e-01 2.K41 HA = 4.049(D), Expected = 4.27, Std = 0.4400, ChiSquare = 6.1548e-01 2.K41 HB2 = 2.026(D), Expected = 1.78, Std = 0.2500, ChiSquare = 3.2512e-01 2.K41 HB3 = 1.885(D), Expected = 1.74, Std = 0.2700, ChiSquare = 5.9124e-01 2.K41 HG2 = 1.358(D), Expected = 1.37, Std = 0.2600, ChiSquare = 9.6319e-01 2.K41 HG3 = 1.358(D), Expected = 1.35, Std = 0.2800, ChiSquare = 9.7721e-01 2.K41 HD2 = 1.73(D), Expected = 1.61, Std = 0.2200, ChiSquare = 5.8544e-01 2.K41 HD3 = 1.664(D), Expected = 1.60, Std = 0.2200, ChiSquare = 7.7112e-01 2.K41 HE2 = 3.003(D), Expected = 2.92, Std = 0.1900, ChiSquare = 6.6223e-01 2.K41 HE3 = 3.003(D), Expected = 2.91, Std = 0.2000, ChiSquare = 6.4193e-01 2.K41 N = 118.906(D), Expected = 121.05, Std = 3.7700, ChiSquare = 5.6956e-01 2.S42 CA = 56.774(D), Expected = 58.72, Std = 2.0700, ChiSquare = 3.4717e-01 2.S42 CB = 66.879(D), Expected = 63.80, Std = 1.4800, ChiSquare = 3.7488e-02 2.S42 H = 7.947(D), Expected = 8.28, Std = 0.5900, ChiSquare = 5.7248e-01 2.S42 HA = 4.866(D), Expected = 4.48, Std = 0.4000, ChiSquare = 3.3454e-01 2.S42 HB2 = 3.556(D), Expected = 3.88, Std = 0.2500, ChiSquare = 1.9498e-01 2.S42 HB3 = 3.381(D), Expected = 3.85, Std = 0.2700, ChiSquare = 8.2381e-02 2.S42 N = 112.614(D), Expected = 116.28, Std = 3.5200, ChiSquare = 2.9765e-01 2.Q43 CA = 55.01(D), Expected = 56.57, Std = 2.1400, ChiSquare = 4.6602e-01 2.Q43 CB = 29.84(D), Expected = 29.19, Std = 1.8200, ChiSquare = 7.2098e-01 2.Q43 CG = 34.024(D), Expected = 33.76, Std = 1.1100, ChiSquare = 8.1201e-01 2.Q43 H = 8.665(D), Expected = 8.22, Std = 0.5900, ChiSquare = 4.5071e-01 2.Q43 HA = 4.568(D), Expected = 4.27, Std = 0.4400, ChiSquare = 4.9823e-01 2.Q43 HB2 = 2.345(D), Expected = 2.05, Std = 0.2500, ChiSquare = 2.3800e-01 2.Q43 HB3 = 2(D), Expected = 2.02, Std = 0.2800, ChiSquare = 9.4306e-01 2.Q43 HG2 = 2.47(D), Expected = 2.32, Std = 0.2700, ChiSquare = 5.7851e-01 2.Q43 HG3 = 2.428(D), Expected = 2.29, Std = 0.2900, ChiSquare = 6.3417e-01 2.Q43 HE21 = 7.808(D), Expected = 7.24, Std = 0.4500, ChiSquare = 2.0687e-01 2.Q43 HE22 = 6.815(D), Expected = 7.02, Std = 0.4400, ChiSquare = 6.4128e-01 2.Q43 N = 120.588(D), Expected = 119.89, Std = 3.6000, ChiSquare = 8.4626e-01 2.Q43 NE2 = 113.562(D), Expected = 111.87, Std = 1.7200, ChiSquare = 3.2525e-01 2.T44 CA = 66.115(D), Expected = 62.22, Std = 2.5900, ChiSquare = 1.3262e-01 2.T44 CB = 67.624(D), Expected = 69.73, Std = 1.6300, ChiSquare = 1.9635e-01 2.T44 CG2 = 22.496(D), Expected = 21.55, Std = 1.1100, ChiSquare = 3.9407e-01 2.T44 H = 8.94(D), Expected = 8.24, Std = 0.6200, ChiSquare = 2.5888e-01 2.T44 HA = 3.646(D), Expected = 4.46, Std = 0.4800, ChiSquare = 8.9917e-02 2.T44 HB = 4.173(D), Expected = 4.17, Std = 0.3300, ChiSquare = 9.9275e-01 2.T44 HG21 = 1.235(D), Expected = 1.14, Std = 0.2300, ChiSquare = 6.7957e-01 2.T44 HG22 = 1.235(D), Expected = 1.14, Std = 0.2300, ChiSquare = 6.7957e-01 2.T44 HG23 = 1.235(D), Expected = 1.14, Std = 0.2300, ChiSquare = 6.7957e-01 2.T44 N = 114.837(D), Expected = 115.42, Std = 4.7500, ChiSquare = 9.0232e-01 2.D45 CA = 55.313(D), Expected = 54.69, Std = 2.0300, ChiSquare = 7.5892e-01 2.D45 CB = 39.813(D), Expected = 40.88, Std = 1.6200, ChiSquare = 5.1013e-01 2.D45 H = 8.314(D), Expected = 8.31, Std = 0.5800, ChiSquare = 9.9450e-01 2.D45 HA = 4.42(D), Expected = 4.59, Std = 0.3200, ChiSquare = 5.9525e-01 2.D45 HB2 = 2.708(D), Expected = 2.72, Std = 0.2600, ChiSquare = 9.6319e-01 2.D45 HB3 = 2.646(D), Expected = 2.66, Std = 0.2800, ChiSquare = 9.6012e-01 2.D45 N = 117.7(D), Expected = 120.65, Std = 3.8600, ChiSquare = 4.4472e-01 2.Q46 CA = 55.555(D), Expected = 56.57, Std = 2.1400, ChiSquare = 6.3529e-01 2.Q46 CB = 31.046(D), Expected = 29.19, Std = 1.8200, ChiSquare = 3.0783e-01 2.Q46 CG = 35.321(D), Expected = 33.76, Std = 1.1100, ChiSquare = 1.5963e-01 2.Q46 H = 7.568(D), Expected = 8.22, Std = 0.5900, ChiSquare = 2.6912e-01 2.Q46 HA = 4.314(D), Expected = 4.27, Std = 0.4400, ChiSquare = 9.2034e-01 2.Q46 HB2 = 2.48(D), Expected = 2.05, Std = 0.2500, ChiSquare = 8.5432e-02 2.Q46 HB3 = 2.1(D), Expected = 2.02, Std = 0.2800, ChiSquare = 7.7510e-01 2.Q46 HG2 = 2.399(D), Expected = 2.32, Std = 0.2700, ChiSquare = 7.6983e-01 2.Q46 HG3 = 2.194(D), Expected = 2.29, Std = 0.2900, ChiSquare = 7.4062e-01 2.Q46 HE21 = 7.855(D), Expected = 7.24, Std = 0.4500, ChiSquare = 1.7173e-01 2.Q46 HE22 = 6.752(D), Expected = 7.02, Std = 0.4400, ChiSquare = 5.4246e-01 2.Q46 N = 116(D), Expected = 119.89, Std = 3.6000, ChiSquare = 2.7989e-01 2.Q46 NE2 = 112.437(D), Expected = 111.87, Std = 1.7200, ChiSquare = 7.4166e-01 2.L47 CA = 54.453(D), Expected = 55.62, Std = 2.1300, ChiSquare = 5.8377e-01 2.L47 CB = 42.019(D), Expected = 42.31, Std = 1.8800, ChiSquare = 8.7699e-01 2.L47 CG = 25.395(D), Expected = 26.78, Std = 1.1000, ChiSquare = 2.0800e-01 2.L47 CD1 = 27.198(D), Expected = 24.72, Std = 1.5900, ChiSquare = 1.1912e-01 2.L47 CD2 = 22.638(D), Expected = 24.05, Std = 1.7000, ChiSquare = 4.0621e-01 2.L47 H = 7.151(D), Expected = 8.23, Std = 0.6500, ChiSquare = 9.6914e-02 2.L47 HA = 4.392(D), Expected = 4.32, Std = 0.4700, ChiSquare = 8.7825e-01 2.L47 HB2 = 1.721(D), Expected = 1.61, Std = 0.3400, ChiSquare = 7.4407e-01 2.L47 HB3 = 0.854(D), Expected = 1.52, Std = 0.3600, ChiSquare = 6.4314e-02 2.L47 HG = 1.949(D), Expected = 1.51, Std = 0.3300, ChiSquare = 1.8342e-01 2.L47 HD11 = 0.622(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.4757e-01 2.L47 HD12 = 0.622(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.4757e-01 2.L47 HD13 = 0.622(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.4757e-01 2.L47 HD21 = 0.603(D), Expected = 0.73, Std = 0.2900, ChiSquare = 6.6144e-01 2.L47 HD22 = 0.603(D), Expected = 0.73, Std = 0.2900, ChiSquare = 6.6144e-01 2.L47 HD23 = 0.603(D), Expected = 0.73, Std = 0.2900, ChiSquare = 6.6144e-01 2.L47 N = 115.963(D), Expected = 121.86, Std = 3.9000, ChiSquare = 1.3052e-01 2.V48 CA = 61.762(D), Expected = 62.49, Std = 2.8600, ChiSquare = 7.9907e-01 2.V48 CB = 33.414(D), Expected = 32.73, Std = 1.7900, ChiSquare = 7.0237e-01 2.V48 CG1 = 20.426(D), Expected = 21.49, Std = 1.3600, ChiSquare = 4.3401e-01 2.V48 CG2 = 21.486(D), Expected = 21.26, Std = 1.5600, ChiSquare = 8.8481e-01 2.V48 H = 8.669(D), Expected = 8.29, Std = 0.6700, ChiSquare = 5.7162e-01 2.V48 HA = 4.03(D), Expected = 4.19, Std = 0.5800, ChiSquare = 7.8265e-01 2.V48 HB = 2.076(D), Expected = 1.98, Std = 0.3200, ChiSquare = 7.6418e-01 2.V48 HG11 = 0.783(D), Expected = 0.83, Std = 0.2600, ChiSquare = 8.5655e-01 2.V48 HG12 = 0.783(D), Expected = 0.83, Std = 0.2600, ChiSquare = 8.5655e-01 2.V48 HG13 = 0.783(D), Expected = 0.83, Std = 0.2600, ChiSquare = 8.5655e-01 2.V48 HG21 = 0.83(D), Expected = 0.80, Std = 0.2800, ChiSquare = 9.1468e-01 2.V48 HG22 = 0.83(D), Expected = 0.80, Std = 0.2800, ChiSquare = 9.1468e-01 2.V48 HG23 = 0.83(D), Expected = 0.80, Std = 0.2800, ChiSquare = 9.1468e-01 2.V48 N = 125.095(D), Expected = 121.14, Std = 4.5400, ChiSquare = 3.8368e-01 2.L49 CA = 52.938(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.0797e-01 2.L49 CB = 45.268(D), Expected = 42.31, Std = 1.8800, ChiSquare = 1.1563e-01 2.L49 CG = 26.964(D), Expected = 26.78, Std = 1.1000, ChiSquare = 8.6716e-01 2.L49 CD1 = 26.859(D), Expected = 24.72, Std = 1.5900, ChiSquare = 1.7853e-01 2.L49 CD2 = 24.776(D), Expected = 24.05, Std = 1.7000, ChiSquare = 6.6934e-01 2.L49 H = 8.693(D), Expected = 8.23, Std = 0.6500, ChiSquare = 4.7627e-01 2.L49 HA = 5.213(D), Expected = 4.32, Std = 0.4700, ChiSquare = 5.7433e-02 2.L49 HB2 = 1.394(D), Expected = 1.61, Std = 0.3400, ChiSquare = 5.2524e-01 2.L49 HB3 = 1.18(D), Expected = 1.52, Std = 0.3600, ChiSquare = 3.4494e-01 2.L49 HG = 1.31(D), Expected = 1.51, Std = 0.3300, ChiSquare = 5.4447e-01 2.L49 HD11 = 0.684(D), Expected = 0.75, Std = 0.2800, ChiSquare = 8.1365e-01 2.L49 HD12 = 0.684(D), Expected = 0.75, Std = 0.2800, ChiSquare = 8.1365e-01 2.L49 HD13 = 0.684(D), Expected = 0.75, Std = 0.2800, ChiSquare = 8.1365e-01 2.L49 HD21 = 0.66(D), Expected = 0.73, Std = 0.2900, ChiSquare = 8.0926e-01 2.L49 HD22 = 0.66(D), Expected = 0.73, Std = 0.2900, ChiSquare = 8.0926e-01 2.L49 HD23 = 0.66(D), Expected = 0.73, Std = 0.2900, ChiSquare = 8.0926e-01 2.L49 N = 126.391(D), Expected = 121.86, Std = 3.9000, ChiSquare = 2.4532e-01 2.I50 CA = 59.874(D), Expected = 61.61, Std = 2.6800, ChiSquare = 5.1714e-01 2.I50 CB = 42.675(D), Expected = 38.63, Std = 2.0200, ChiSquare = 4.5234e-02 2.I50 CG1 = 29.478(D), Expected = 27.71, Std = 1.6800, ChiSquare = 2.9262e-01 2.I50 CG2 = 18.87(D), Expected = 17.53, Std = 1.3600, ChiSquare = 3.2448e-01 2.I50 CD1 = 16.072(D), Expected = 13.43, Std = 1.6700, ChiSquare = 1.1364e-01 2.I50 H = 9.189(D), Expected = 8.28, Std = 0.6800, ChiSquare = 1.8130e-01 2.I50 HA = 5.084(D), Expected = 4.18, Std = 0.5600, ChiSquare = 1.0647e-01 2.I50 HB = 1.48(D), Expected = 1.78, Std = 0.2900, ChiSquare = 3.0091e-01 2.I50 HG12 = 1.317(D), Expected = 1.28, Std = 0.4000, ChiSquare = 9.2630e-01 2.I50 HG13 = 0.824(D), Expected = 1.19, Std = 0.4100, ChiSquare = 3.7203e-01 2.I50 HG21 = 0.617(D), Expected = 0.77, Std = 0.2700, ChiSquare = 5.7094e-01 2.I50 HG22 = 0.617(D), Expected = 0.77, Std = 0.2700, ChiSquare = 5.7094e-01 2.I50 HG23 = 0.617(D), Expected = 0.77, Std = 0.2700, ChiSquare = 5.7094e-01 2.I50 HD11 = 0.678(D), Expected = 0.68, Std = 0.2900, ChiSquare = 9.9450e-01 2.I50 HD12 = 0.678(D), Expected = 0.68, Std = 0.2900, ChiSquare = 9.9450e-01 2.I50 HD13 = 0.678(D), Expected = 0.68, Std = 0.2900, ChiSquare = 9.9450e-01 2.I50 N = 122.993(D), Expected = 121.46, Std = 4.2800, ChiSquare = 7.2021e-01 2.F51 CA = 57.035(D), Expected = 58.08, Std = 2.5700, ChiSquare = 6.8429e-01 2.F51 CB = 44.024(D), Expected = 39.99, Std = 2.0900, ChiSquare = 5.3589e-02 2.F51 H = 8.674(D), Expected = 8.36, Std = 0.7200, ChiSquare = 6.6276e-01 2.F51 HA = 5.018(D), Expected = 4.63, Std = 0.5700, ChiSquare = 4.9606e-01 2.F51 HB2 = 2.951(D), Expected = 3.00, Std = 0.3700, ChiSquare = 8.9464e-01 2.F51 HB3 = 2.702(D), Expected = 2.93, Std = 0.4000, ChiSquare = 5.6868e-01 2.F51 HD1 = 7.406(D), Expected = 7.06, Std = 0.3100, ChiSquare = 2.6437e-01 2.F51 HD2 = 7.406(D), Expected = 7.06, Std = 0.3100, ChiSquare = 2.6437e-01 2.F51 HE1 = 6.919(D), Expected = 7.08, Std = 0.3100, ChiSquare = 6.0351e-01 2.F51 HE2 = 6.919(D), Expected = 7.08, Std = 0.3200, ChiSquare = 6.1488e-01 2.F51 HZ = 7.563(D), Expected = 7.00, Std = 0.4200, ChiSquare = 1.8009e-01 2.F51 N = 124.962(D), Expected = 120.45, Std = 4.1800, ChiSquare = 2.8040e-01 2.A52 CA = 52.61(D), Expected = 53.14, Std = 1.9800, ChiSquare = 7.8895e-01 2.A52 CB = 17.579(D), Expected = 19.01, Std = 1.8300, ChiSquare = 4.3423e-01 2.A52 H = 8.781(D), Expected = 8.20, Std = 0.6000, ChiSquare = 3.3288e-01 2.A52 HA = 3.266(D), Expected = 4.26, Std = 0.4400, ChiSquare = 2.3878e-02 2.A52 HB1 = 1.066(D), Expected = 1.35, Std = 0.2600, ChiSquare = 2.7470e-01 2.A52 HB2 = 1.066(D), Expected = 1.35, Std = 0.2600, ChiSquare = 2.7470e-01 2.A52 HB3 = 1.066(D), Expected = 1.35, Std = 0.2600, ChiSquare = 2.7470e-01 2.A52 N = 132.947(D), Expected = 123.23, Std = 3.5400, ChiSquare = 6.0527e-03 2.G53 CA = 45.28(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.5834e-01 2.G53 H = 8.184(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.2228e-01 2.G53 HA2 = 3.308(D), Expected = 3.97, Std = 0.3700, ChiSquare = 7.3584e-02 2.G53 HA3 = 4.004(D), Expected = 3.90, Std = 0.3700, ChiSquare = 7.7865e-01 2.G53 N = 100.774(D), Expected = 109.67, Std = 3.8700, ChiSquare = 2.1522e-02 2.K54 CA = 54.42(D), Expected = 56.95, Std = 2.2000, ChiSquare = 2.5014e-01 2.K54 CB = 34.285(D), Expected = 32.79, Std = 1.7800, ChiSquare = 4.0097e-01 2.K54 CG = 24.349(D), Expected = 24.89, Std = 1.1300, ChiSquare = 6.3211e-01 2.K54 CD = 29.193(D), Expected = 28.96, Std = 1.0800, ChiSquare = 8.2919e-01 2.K54 CE = 41.607(D), Expected = 41.89, Std = 0.8200, ChiSquare = 7.3000e-01 2.K54 H = 7.772(D), Expected = 8.19, Std = 0.6000, ChiSquare = 4.8601e-01 2.K54 HA = 4.585(D), Expected = 4.27, Std = 0.4400, ChiSquare = 4.7405e-01 2.K54 HB2 = 1.858(D), Expected = 1.78, Std = 0.2500, ChiSquare = 7.5504e-01 2.K54 HB3 = 1.788(D), Expected = 1.74, Std = 0.2700, ChiSquare = 8.5890e-01 2.K54 HG2 = 1.468(D), Expected = 1.37, Std = 0.2600, ChiSquare = 7.0623e-01 2.K54 HG3 = 1.468(D), Expected = 1.35, Std = 0.2800, ChiSquare = 6.7344e-01 2.K54 HD2 = 1.874(D), Expected = 1.61, Std = 0.2200, ChiSquare = 2.3014e-01 2.K54 HD3 = 1.788(D), Expected = 1.60, Std = 0.2200, ChiSquare = 3.9280e-01 2.K54 HE2 = 3.09(D), Expected = 2.92, Std = 0.1900, ChiSquare = 3.7093e-01 2.K54 HE3 = 3.09(D), Expected = 2.91, Std = 0.2000, ChiSquare = 3.6812e-01 2.K54 N = 118.493(D), Expected = 121.05, Std = 3.7700, ChiSquare = 4.9761e-01 2.I55 CA = 60.986(D), Expected = 61.61, Std = 2.6800, ChiSquare = 8.1589e-01 2.I55 CB = 38.122(D), Expected = 38.63, Std = 2.0200, ChiSquare = 8.0144e-01 2.I55 CG1 = 28.533(D), Expected = 27.71, Std = 1.6800, ChiSquare = 6.2422e-01 2.I55 CG2 = 17.65(D), Expected = 17.53, Std = 1.3600, ChiSquare = 9.2969e-01 2.I55 CD1 = 13.803(D), Expected = 13.43, Std = 1.6700, ChiSquare = 8.2326e-01 2.I55 H = 8.28(D), Expected = 8.28, Std = 0.6800, ChiSquare = 1.0000e+00 2.I55 HA = 4.275(D), Expected = 4.18, Std = 0.5600, ChiSquare = 8.6529e-01 2.I55 HB = 1.622(D), Expected = 1.78, Std = 0.2900, ChiSquare = 5.8587e-01 2.I55 HG12 = 1.546(D), Expected = 1.28, Std = 0.4000, ChiSquare = 5.0605e-01 2.I55 HG13 = 0.754(D), Expected = 1.19, Std = 0.4100, ChiSquare = 2.8759e-01 2.I55 HG21 = 0.85(D), Expected = 0.77, Std = 0.2700, ChiSquare = 7.6700e-01 2.I55 HG22 = 0.85(D), Expected = 0.77, Std = 0.2700, ChiSquare = 7.6700e-01 2.I55 HG23 = 0.85(D), Expected = 0.77, Std = 0.2700, ChiSquare = 7.6700e-01 2.I55 HD11 = 0.823(D), Expected = 0.68, Std = 0.2900, ChiSquare = 6.2194e-01 2.I55 HD12 = 0.823(D), Expected = 0.68, Std = 0.2900, ChiSquare = 6.2194e-01 2.I55 HD13 = 0.823(D), Expected = 0.68, Std = 0.2900, ChiSquare = 6.2194e-01 2.I55 N = 120.743(D), Expected = 121.46, Std = 4.2800, ChiSquare = 8.6696e-01 2.L56 CA = 54.807(D), Expected = 55.62, Std = 2.1300, ChiSquare = 7.0269e-01 2.L56 CB = 41.869(D), Expected = 42.31, Std = 1.8800, ChiSquare = 8.1454e-01 2.L56 CG = 26.179(D), Expected = 26.78, Std = 1.1000, ChiSquare = 5.8482e-01 2.L56 CD1 = 25.061(D), Expected = 24.72, Std = 1.5900, ChiSquare = 8.3018e-01 2.L56 CD2 = 20.073(D), Expected = 24.05, Std = 1.7000, ChiSquare = 1.9314e-02 2.L56 H = 8.673(D), Expected = 8.23, Std = 0.6500, ChiSquare = 4.9553e-01 2.L56 HA = 4.008(D), Expected = 4.32, Std = 0.4700, ChiSquare = 5.0680e-01 2.L56 HB2 = 1.519(D), Expected = 1.61, Std = 0.3400, ChiSquare = 7.8897e-01 2.L56 HB3 = 1.207(D), Expected = 1.52, Std = 0.3600, ChiSquare = 3.8460e-01 2.L56 HG = 1.404(D), Expected = 1.51, Std = 0.3300, ChiSquare = 7.4805e-01 2.L56 HD11 = 0.515(D), Expected = 0.75, Std = 0.2800, ChiSquare = 4.0131e-01 2.L56 HD12 = 0.515(D), Expected = 0.75, Std = 0.2800, ChiSquare = 4.0131e-01 2.L56 HD13 = 0.515(D), Expected = 0.75, Std = 0.2800, ChiSquare = 4.0131e-01 2.L56 HD21 = 0.076(D), Expected = 0.73, Std = 0.2900, ChiSquare = 2.4123e-02 2.L56 HD22 = 0.076(D), Expected = 0.73, Std = 0.2900, ChiSquare = 2.4123e-02 2.L56 HD23 = 0.076(D), Expected = 0.73, Std = 0.2900, ChiSquare = 2.4123e-02 2.L56 N = 128.19(D), Expected = 121.86, Std = 3.9000, ChiSquare = 1.0457e-01 2.K57 CA = 55.205(D), Expected = 56.95, Std = 2.2000, ChiSquare = 4.2767e-01 2.K57 CB = 32.974(D), Expected = 32.79, Std = 1.7800, ChiSquare = 9.1767e-01 2.K57 CG = 24.872(D), Expected = 24.89, Std = 1.1300, ChiSquare = 9.8729e-01 2.K57 CD = 29.056(D), Expected = 28.96, Std = 1.0800, ChiSquare = 9.2917e-01 2.K57 CE = 41.734(D), Expected = 41.89, Std = 0.8200, ChiSquare = 8.4912e-01 2.K57 H = 8.145(D), Expected = 8.19, Std = 0.6000, ChiSquare = 9.4021e-01 2.K57 HA = 4.502(D), Expected = 4.27, Std = 0.4400, ChiSquare = 5.9800e-01 2.K57 HB2 = 1.874(D), Expected = 1.78, Std = 0.2500, ChiSquare = 7.0692e-01 2.K57 HB3 = 1.874(D), Expected = 1.74, Std = 0.2700, ChiSquare = 6.1969e-01 2.K57 HG2 = 1.647(D), Expected = 1.37, Std = 0.2600, ChiSquare = 2.8670e-01 2.K57 HG3 = 1.461(D), Expected = 1.35, Std = 0.2800, ChiSquare = 6.9179e-01 2.K57 HD2 = 1.771(D), Expected = 1.61, Std = 0.2200, ChiSquare = 4.6428e-01 2.K57 HD3 = 1.771(D), Expected = 1.60, Std = 0.2200, ChiSquare = 4.3700e-01 2.K57 HE2 = 3.086(D), Expected = 2.92, Std = 0.1900, ChiSquare = 3.8229e-01 2.K57 HE3 = 3.086(D), Expected = 2.91, Std = 0.2000, ChiSquare = 3.7886e-01 2.K57 N = 123.093(D), Expected = 121.05, Std = 3.7700, ChiSquare = 5.8788e-01 2.D58 CA = 57.941(D), Expected = 54.69, Std = 2.0300, ChiSquare = 1.0927e-01 2.D58 CB = 40.592(D), Expected = 40.88, Std = 1.6200, ChiSquare = 8.5890e-01 2.D58 H = 8.384(D), Expected = 8.31, Std = 0.5800, ChiSquare = 8.9848e-01 2.D58 HA = 4.213(D), Expected = 4.59, Std = 0.3200, ChiSquare = 2.3875e-01 2.D58 HB2 = 2.63(D), Expected = 2.72, Std = 0.2600, ChiSquare = 7.2923e-01 2.D58 HB3 = 2.56(D), Expected = 2.66, Std = 0.2800, ChiSquare = 7.2098e-01 2.D58 N = 121.011(D), Expected = 120.65, Std = 3.8600, ChiSquare = 9.2549e-01 2.Q59 CA = 55.974(D), Expected = 56.57, Std = 2.1400, ChiSquare = 7.8062e-01 2.Q59 CB = 28.088(D), Expected = 29.19, Std = 1.8200, ChiSquare = 5.4485e-01 2.Q59 CG = 33.501(D), Expected = 33.76, Std = 1.1100, ChiSquare = 8.1550e-01 2.Q59 H = 8.252(D), Expected = 8.22, Std = 0.5900, ChiSquare = 9.5675e-01 2.Q59 HA = 4.452(D), Expected = 4.27, Std = 0.4400, ChiSquare = 6.7914e-01 2.Q59 HB2 = 2.262(D), Expected = 2.05, Std = 0.2500, ChiSquare = 3.9644e-01 2.Q59 HB3 = 2.116(D), Expected = 2.02, Std = 0.2800, ChiSquare = 7.3171e-01 2.Q59 HG2 = 2.464(D), Expected = 2.32, Std = 0.2700, ChiSquare = 5.9380e-01 2.Q59 HG3 = 2.464(D), Expected = 2.29, Std = 0.2900, ChiSquare = 5.4851e-01 2.Q59 HE21 = 7.677(D), Expected = 7.24, Std = 0.4500, ChiSquare = 3.3149e-01 2.Q59 HE22 = 6.91(D), Expected = 7.02, Std = 0.4400, ChiSquare = 8.0259e-01 2.Q59 N = 113.173(D), Expected = 119.89, Std = 3.6000, ChiSquare = 6.2065e-02 2.Q59 NE2 = 113(D), Expected = 111.87, Std = 1.7200, ChiSquare = 5.1120e-01 2.D60 CA = 54.006(D), Expected = 54.69, Std = 2.0300, ChiSquare = 7.3616e-01 2.D60 CB = 41.827(D), Expected = 40.88, Std = 1.6200, ChiSquare = 5.5884e-01 2.D60 H = 7.777(D), Expected = 8.31, Std = 0.5800, ChiSquare = 3.5811e-01 2.D60 HA = 4.835(D), Expected = 4.59, Std = 0.3200, ChiSquare = 4.4390e-01 2.D60 HB2 = 3.164(D), Expected = 2.72, Std = 0.2600, ChiSquare = 8.7693e-02 2.D60 HB3 = 2.715(D), Expected = 2.66, Std = 0.2800, ChiSquare = 8.4427e-01 2.D60 N = 122.199(D), Expected = 120.65, Std = 3.8600, ChiSquare = 6.8820e-01 2.T61 CA = 59.181(D), Expected = 62.22, Std = 2.5900, ChiSquare = 2.4065e-01 2.T61 CB = 71.925(D), Expected = 69.73, Std = 1.6300, ChiSquare = 1.7810e-01 2.T61 CG2 = 21.356(D), Expected = 21.55, Std = 1.1100, ChiSquare = 8.6126e-01 2.T61 H = 8.273(D), Expected = 8.24, Std = 0.6200, ChiSquare = 9.5755e-01 2.T61 HA = 5.157(D), Expected = 4.46, Std = 0.4800, ChiSquare = 1.4648e-01 2.T61 HB = 4.247(D), Expected = 4.17, Std = 0.3300, ChiSquare = 8.1550e-01 2.T61 HG21 = 1.176(D), Expected = 1.14, Std = 0.2300, ChiSquare = 8.7562e-01 2.T61 HG22 = 1.176(D), Expected = 1.14, Std = 0.2300, ChiSquare = 8.7562e-01 2.T61 HG23 = 1.176(D), Expected = 1.14, Std = 0.2300, ChiSquare = 8.7562e-01 2.T61 N = 107.504(D), Expected = 115.42, Std = 4.7500, ChiSquare = 9.5609e-02 2.L62 CA = 58.39(D), Expected = 55.62, Std = 2.1300, ChiSquare = 1.9344e-01 2.L62 CB = 38.76(D), Expected = 42.31, Std = 1.8800, ChiSquare = 5.8986e-02 2.L62 CG = 26.964(D), Expected = 26.78, Std = 1.1000, ChiSquare = 8.6716e-01 2.L62 CD1 = 25.291(D), Expected = 24.72, Std = 1.5900, ChiSquare = 7.1951e-01 2.L62 CD2 = 21.734(D), Expected = 24.05, Std = 1.7000, ChiSquare = 1.7309e-01 2.L62 H = 7.849(D), Expected = 8.23, Std = 0.6500, ChiSquare = 5.5777e-01 2.L62 HA = 3.875(D), Expected = 4.32, Std = 0.4700, ChiSquare = 3.4374e-01 2.L62 HB2 = 1.875(D), Expected = 1.61, Std = 0.3400, ChiSquare = 4.3574e-01 2.L62 HB3 = 1.324(D), Expected = 1.52, Std = 0.3600, ChiSquare = 5.8614e-01 2.L62 HG = 1.563(D), Expected = 1.51, Std = 0.3300, ChiSquare = 8.7240e-01 2.L62 HD11 = 0.371(D), Expected = 0.75, Std = 0.2800, ChiSquare = 1.7587e-01 2.L62 HD12 = 0.371(D), Expected = 0.75, Std = 0.2800, ChiSquare = 1.7587e-01 2.L62 HD13 = 0.371(D), Expected = 0.75, Std = 0.2800, ChiSquare = 1.7587e-01 2.L62 HD21 = 0.3(D), Expected = 0.73, Std = 0.2900, ChiSquare = 1.3814e-01 2.L62 HD22 = 0.3(D), Expected = 0.73, Std = 0.2900, ChiSquare = 1.3814e-01 2.L62 HD23 = 0.3(D), Expected = 0.73, Std = 0.2900, ChiSquare = 1.3814e-01 2.L62 N = 117.394(D), Expected = 121.86, Std = 3.9000, ChiSquare = 2.5216e-01 2.I63 CA = 63.612(D), Expected = 61.61, Std = 2.6800, ChiSquare = 4.5505e-01 2.I63 CB = 37.816(D), Expected = 38.63, Std = 2.0200, ChiSquare = 6.8697e-01 2.I63 CG1 = 29.056(D), Expected = 27.71, Std = 1.6800, ChiSquare = 4.2302e-01 2.I63 CG2 = 16.51(D), Expected = 17.53, Std = 1.3600, ChiSquare = 4.5325e-01 2.I63 CD1 = 13.889(D), Expected = 13.43, Std = 1.6700, ChiSquare = 7.8343e-01 2.I63 H = 7.584(D), Expected = 8.28, Std = 0.6800, ChiSquare = 3.0606e-01 2.I63 HA = 3.941(D), Expected = 4.18, Std = 0.5600, ChiSquare = 6.6954e-01 2.I63 HB = 1.723(D), Expected = 1.78, Std = 0.2900, ChiSquare = 8.4418e-01 2.I63 HG12 = 1.55(D), Expected = 1.28, Std = 0.4000, ChiSquare = 4.9968e-01 2.I63 HG13 = 1.16(D), Expected = 1.19, Std = 0.4100, ChiSquare = 9.4167e-01 2.I63 HG21 = 0.902(D), Expected = 0.77, Std = 0.2700, ChiSquare = 6.2492e-01 2.I63 HG22 = 0.902(D), Expected = 0.77, Std = 0.2700, ChiSquare = 6.2492e-01 2.I63 HG23 = 0.902(D), Expected = 0.77, Std = 0.2700, ChiSquare = 6.2492e-01 2.I63 HD11 = 0.827(D), Expected = 0.68, Std = 0.2900, ChiSquare = 6.1223e-01 2.I63 HD12 = 0.827(D), Expected = 0.68, Std = 0.2900, ChiSquare = 6.1223e-01 2.I63 HD13 = 0.827(D), Expected = 0.68, Std = 0.2900, ChiSquare = 6.1223e-01 2.I63 N = 117.156(D), Expected = 121.46, Std = 4.2800, ChiSquare = 3.1460e-01 2.Q64 CA = 58.2(D), Expected = 56.57, Std = 2.1400, ChiSquare = 4.4625e-01 2.Q64 CB = 28.533(D), Expected = 29.19, Std = 1.8200, ChiSquare = 7.1811e-01 2.Q64 CG = 32.946(D), Expected = 33.76, Std = 1.1100, ChiSquare = 4.6336e-01 2.Q64 H = 7.686(D), Expected = 8.22, Std = 0.5900, ChiSquare = 3.6542e-01 2.Q64 HA = 4.037(D), Expected = 4.27, Std = 0.4400, ChiSquare = 5.9643e-01 2.Q64 HB2 = 2.166(D), Expected = 2.05, Std = 0.2500, ChiSquare = 6.4265e-01 2.Q64 HB3 = 1.996(D), Expected = 2.02, Std = 0.2800, ChiSquare = 9.3169e-01 2.Q64 HG2 = 2.205(D), Expected = 2.32, Std = 0.2700, ChiSquare = 6.7016e-01 2.Q64 HG3 = 1.864(D), Expected = 2.29, Std = 0.2900, ChiSquare = 1.4184e-01 2.Q64 HE21 = 7.296(D), Expected = 7.24, Std = 0.4500, ChiSquare = 9.0096e-01 2.Q64 HE22 = 6.547(D), Expected = 7.02, Std = 0.4400, ChiSquare = 2.8237e-01 2.Q64 N = 123.647(D), Expected = 119.89, Std = 3.6000, ChiSquare = 2.9667e-01 2.Q64 NE2 = 110.609(D), Expected = 111.87, Std = 1.7200, ChiSquare = 4.6347e-01 2.H65 CA = 56.987(D), Expected = 56.52, Std = 2.3100, ChiSquare = 8.3979e-01 2.H65 CB = 33.24(D), Expected = 30.24, Std = 2.0700, ChiSquare = 1.4726e-01 2.H65 H = 6.914(D), Expected = 8.24, Std = 0.6800, ChiSquare = 5.1176e-02 2.H65 HA = 4.53(D), Expected = 4.61, Std = 0.4300, ChiSquare = 8.5241e-01 2.H65 HB2 = 3.306(D), Expected = 3.10, Std = 0.3600, ChiSquare = 5.6717e-01 2.H65 HB3 = 2.585(D), Expected = 3.04, Std = 0.3800, ChiSquare = 2.3116e-01 2.H65 HD2 = 7.062(D), Expected = 7.00, Std = 0.4300, ChiSquare = 8.8535e-01 2.H65 HE1 = 7.74(D), Expected = 7.95, Std = 0.4800, ChiSquare = 6.6175e-01 2.H65 N = 115.118(D), Expected = 119.69, Std = 4.0000, ChiSquare = 2.5304e-01 2.G66 CA = 45.53(D), Expected = 45.35, Std = 1.3400, ChiSquare = 8.9314e-01 2.G66 H = 7.876(D), Expected = 8.33, Std = 0.6500, ChiSquare = 4.8489e-01 2.G66 HA2 = 3.552(D), Expected = 3.97, Std = 0.3700, ChiSquare = 2.5859e-01 2.G66 HA3 = 3.998(D), Expected = 3.90, Std = 0.3700, ChiSquare = 7.9111e-01 2.G66 N = 107.235(D), Expected = 109.67, Std = 3.8700, ChiSquare = 5.2922e-01 2.I67 CA = 61.481(D), Expected = 61.61, Std = 2.6800, ChiSquare = 9.6161e-01 2.I67 CB = 35.423(D), Expected = 38.63, Std = 2.0200, ChiSquare = 1.1237e-01 2.I67 CG1 = 26.179(D), Expected = 27.71, Std = 1.6800, ChiSquare = 3.6213e-01 2.I67 CG2 = 17.365(D), Expected = 17.53, Std = 1.3600, ChiSquare = 9.0344e-01 2.I67 CD1 = 14.627(D), Expected = 13.43, Std = 1.6700, ChiSquare = 4.7352e-01 2.I67 H = 7.093(D), Expected = 8.28, Std = 0.6800, ChiSquare = 8.0883e-02 2.I67 HA = 3.084(D), Expected = 4.18, Std = 0.5600, ChiSquare = 5.0331e-02 2.I67 HB = 1.246(D), Expected = 1.78, Std = 0.2900, ChiSquare = 6.5566e-02 2.I67 HG12 = 0.595(D), Expected = 1.28, Std = 0.4000, ChiSquare = 8.6805e-02 2.I67 HG13 = -1.078(S), Expected = 1.19, Std = 0.4100, ChiSquare = 3.1713e-08 2.I67 HG21 = 0.269(D), Expected = 0.77, Std = 0.2700, ChiSquare = 6.3517e-02 2.I67 HG22 = 0.269(D), Expected = 0.77, Std = 0.2700, ChiSquare = 6.3517e-02 2.I67 HG23 = 0.269(D), Expected = 0.77, Std = 0.2700, ChiSquare = 6.3517e-02 2.I67 HD11 = 0.301(D), Expected = 0.68, Std = 0.2900, ChiSquare = 1.9125e-01 2.I67 HD12 = 0.301(D), Expected = 0.68, Std = 0.2900, ChiSquare = 1.9125e-01 2.I67 HD13 = 0.301(D), Expected = 0.68, Std = 0.2900, ChiSquare = 1.9125e-01 2.I67 N = 119.672(D), Expected = 121.46, Std = 4.2800, ChiSquare = 6.7612e-01 2.H68 CA = 52.951(D), Expected = 56.52, Std = 2.3100, ChiSquare = 1.2234e-01 2.H68 CB = 32.194(D), Expected = 30.24, Std = 2.0700, ChiSquare = 3.4519e-01 2.H68 H = 6.048(D), Expected = 8.24, Std = 0.6800, ChiSquare = 1.2662e-03 2.H68 HA = 4.686(D), Expected = 4.61, Std = 0.4300, ChiSquare = 8.5971e-01 2.H68 HB2 = 3.271(D), Expected = 3.10, Std = 0.3600, ChiSquare = 6.3479e-01 2.H68 HB3 = 3.053(D), Expected = 3.04, Std = 0.3800, ChiSquare = 9.7271e-01 2.H68 HD2 = 6.942(D), Expected = 7.00, Std = 0.4300, ChiSquare = 8.9270e-01 2.H68 HE1 = 6.945(D), Expected = 7.95, Std = 0.4800, ChiSquare = 3.6282e-02 2.H68 N = 121.547(D), Expected = 119.69, Std = 4.0000, ChiSquare = 6.4247e-01 2.D69 CA = 56.612(D), Expected = 54.69, Std = 2.0300, ChiSquare = 3.4374e-01 2.D69 CB = 42.705(D), Expected = 40.88, Std = 1.6200, ChiSquare = 2.5994e-01 2.D69 H = 8.463(D), Expected = 8.31, Std = 0.5800, ChiSquare = 7.9194e-01 2.D69 HA = 4.387(D), Expected = 4.59, Std = 0.3200, ChiSquare = 5.2584e-01 2.D69 HB2 = 2.669(D), Expected = 2.72, Std = 0.2600, ChiSquare = 8.4449e-01 2.D69 HB3 = 2.669(D), Expected = 2.66, Std = 0.2800, ChiSquare = 9.7436e-01 2.D69 N = 116.516(D), Expected = 120.65, Std = 3.8600, ChiSquare = 2.8418e-01 2.G70 CA = 45.007(D), Expected = 45.35, Std = 1.3400, ChiSquare = 7.9797e-01 2.G70 H = 9.441(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.7408e-02 2.G70 HA2 = 4.285(D), Expected = 3.97, Std = 0.3700, ChiSquare = 3.9457e-01 2.G70 HA3 = 3.824(D), Expected = 3.90, Std = 0.3700, ChiSquare = 8.3726e-01 2.G70 N = 112.42(D), Expected = 109.67, Std = 3.8700, ChiSquare = 4.7734e-01 2.L71 CA = 54.008(D), Expected = 55.62, Std = 2.1300, ChiSquare = 4.4917e-01 2.L71 CB = 42.152(D), Expected = 42.31, Std = 1.8800, ChiSquare = 9.3302e-01 2.L71 CG = 26.702(D), Expected = 26.78, Std = 1.1000, ChiSquare = 9.4347e-01 2.L71 CD1 = 26.913(D), Expected = 24.72, Std = 1.5900, ChiSquare = 1.6782e-01 2.L71 CD2 = 22.353(D), Expected = 24.05, Std = 1.7000, ChiSquare = 3.1817e-01 2.L71 H = 7.674(D), Expected = 8.23, Std = 0.6500, ChiSquare = 3.9234e-01 2.L71 HA = 4.751(D), Expected = 4.32, Std = 0.4700, ChiSquare = 3.5913e-01 2.L71 HB2 = 2.033(D), Expected = 1.61, Std = 0.3400, ChiSquare = 2.1346e-01 2.L71 HB3 = 1.955(D), Expected = 1.52, Std = 0.3600, ChiSquare = 2.2692e-01 2.L71 HG = 1.587(D), Expected = 1.51, Std = 0.3300, ChiSquare = 8.1550e-01 2.L71 HD11 = 1.08(D), Expected = 0.75, Std = 0.2800, ChiSquare = 2.3857e-01 2.L71 HD12 = 1.08(D), Expected = 0.75, Std = 0.2800, ChiSquare = 2.3857e-01 2.L71 HD13 = 1.08(D), Expected = 0.75, Std = 0.2800, ChiSquare = 2.3857e-01 2.L71 HD21 = 0.967(D), Expected = 0.73, Std = 0.2900, ChiSquare = 4.1379e-01 2.L71 HD22 = 0.967(D), Expected = 0.73, Std = 0.2900, ChiSquare = 4.1379e-01 2.L71 HD23 = 0.967(D), Expected = 0.73, Std = 0.2900, ChiSquare = 4.1379e-01 2.L71 N = 119.899(D), Expected = 121.86, Std = 3.9000, ChiSquare = 6.1509e-01 2.T72 CA = 61.615(D), Expected = 62.22, Std = 2.5900, ChiSquare = 8.1530e-01 2.T72 CB = 70.886(D), Expected = 69.73, Std = 1.6300, ChiSquare = 4.7820e-01 2.T72 CG2 = 21.783(D), Expected = 21.55, Std = 1.1100, ChiSquare = 8.3374e-01 2.T72 H = 8.132(D), Expected = 8.24, Std = 0.6200, ChiSquare = 8.6171e-01 2.T72 HA = 5.304(D), Expected = 4.46, Std = 0.4800, ChiSquare = 7.8691e-02 2.T72 HB = 3.961(D), Expected = 4.17, Std = 0.3300, ChiSquare = 5.2652e-01 2.T72 HG21 = 0.709(D), Expected = 1.14, Std = 0.2300, ChiSquare = 6.0943e-02 2.T72 HG22 = 0.709(D), Expected = 1.14, Std = 0.2300, ChiSquare = 6.0943e-02 2.T72 HG23 = 0.709(D), Expected = 1.14, Std = 0.2300, ChiSquare = 6.0943e-02 2.T72 N = 114.91(D), Expected = 115.42, Std = 4.7500, ChiSquare = 9.1450e-01 2.V73 CA = 60.459(D), Expected = 62.49, Std = 2.8600, ChiSquare = 4.7762e-01 2.V73 CB = 34.285(D), Expected = 32.73, Std = 1.7900, ChiSquare = 3.8500e-01 2.V73 CG1 = 22.518(D), Expected = 21.49, Std = 1.3600, ChiSquare = 4.4972e-01 2.V73 CG2 = 22.781(D), Expected = 21.26, Std = 1.5600, ChiSquare = 3.2956e-01 2.V73 H = 9.388(D), Expected = 8.29, Std = 0.6700, ChiSquare = 1.0125e-01 2.V73 HA = 4.665(D), Expected = 4.19, Std = 0.5800, ChiSquare = 4.1281e-01 2.V73 HB = 1.988(D), Expected = 1.98, Std = 0.3200, ChiSquare = 9.8006e-01 2.V73 HG11 = 0.959(D), Expected = 0.83, Std = 0.2600, ChiSquare = 6.1979e-01 2.V73 HG12 = 0.959(D), Expected = 0.83, Std = 0.2600, ChiSquare = 6.1979e-01 2.V73 HG13 = 0.959(D), Expected = 0.83, Std = 0.2600, ChiSquare = 6.1979e-01 2.V73 HG21 = 0.851(D), Expected = 0.80, Std = 0.2800, ChiSquare = 8.5547e-01 2.V73 HG22 = 0.851(D), Expected = 0.80, Std = 0.2800, ChiSquare = 8.5547e-01 2.V73 HG23 = 0.851(D), Expected = 0.80, Std = 0.2800, ChiSquare = 8.5547e-01 2.V73 N = 124.619(D), Expected = 121.14, Std = 4.5400, ChiSquare = 4.4350e-01 2.H74 CA = 56.811(D), Expected = 56.52, Std = 2.3100, ChiSquare = 8.9975e-01 2.H74 CB = 30.903(D), Expected = 30.24, Std = 2.0700, ChiSquare = 7.4875e-01 2.H74 H = 8.941(D), Expected = 8.24, Std = 0.6800, ChiSquare = 3.0260e-01 2.H74 HA = 4.921(D), Expected = 4.61, Std = 0.4300, ChiSquare = 4.6952e-01 2.H74 HB2 = 2.946(D), Expected = 3.10, Std = 0.3600, ChiSquare = 6.6881e-01 2.H74 HB3 = 2.905(D), Expected = 3.04, Std = 0.3800, ChiSquare = 7.2239e-01 2.H74 N = 125.252(D), Expected = 119.69, Std = 4.0000, ChiSquare = 1.6438e-01 2.L75 CA = 52.876(D), Expected = 55.62, Std = 2.1300, ChiSquare = 1.9765e-01 2.L75 CB = 45.268(D), Expected = 42.31, Std = 1.8800, ChiSquare = 1.1563e-01 2.L75 CG = 27.225(D), Expected = 26.78, Std = 1.1000, ChiSquare = 6.8581e-01 2.L75 CD1 = 25.488(D), Expected = 24.72, Std = 1.5900, ChiSquare = 6.2908e-01 2.L75 CD2 = 24.491(D), Expected = 24.05, Std = 1.7000, ChiSquare = 7.9532e-01 2.L75 H = 8.444(D), Expected = 8.23, Std = 0.6500, ChiSquare = 7.4198e-01 2.L75 HA = 5.282(D), Expected = 4.32, Std = 0.4700, ChiSquare = 4.0677e-02 2.L75 HB2 = 1.21(D), Expected = 1.61, Std = 0.3400, ChiSquare = 2.3941e-01 2.L75 HB3 = 0.759(D), Expected = 1.52, Std = 0.3600, ChiSquare = 3.4525e-02 2.L75 HG = 0.939(D), Expected = 1.51, Std = 0.3300, ChiSquare = 8.3576e-02 2.L75 HD11 = -0.18(S), Expected = 0.75, Std = 0.2800, ChiSquare = 8.9558e-04 2.L75 HD12 = -0.18(S), Expected = 0.75, Std = 0.2800, ChiSquare = 8.9558e-04 2.L75 HD13 = -0.18(S), Expected = 0.75, Std = 0.2800, ChiSquare = 8.9558e-04 2.L75 HD21 = 0.606(D), Expected = 0.73, Std = 0.2900, ChiSquare = 6.6895e-01 2.L75 HD22 = 0.606(D), Expected = 0.73, Std = 0.2900, ChiSquare = 6.6895e-01 2.L75 HD23 = 0.606(D), Expected = 0.73, Std = 0.2900, ChiSquare = 6.6895e-01 2.L75 N = 123.521(D), Expected = 121.86, Std = 3.9000, ChiSquare = 6.7018e-01 2.V76 CA = 61.289(D), Expected = 62.49, Std = 2.8600, ChiSquare = 6.7454e-01 2.V76 CB = 34.481(D), Expected = 32.73, Std = 1.7900, ChiSquare = 3.2797e-01 2.V76 CG1 = 20.949(D), Expected = 21.49, Std = 1.3600, ChiSquare = 6.9078e-01 2.V76 CG2 = 22.353(D), Expected = 21.26, Std = 1.5600, ChiSquare = 4.8353e-01 2.V76 H = 9.002(D), Expected = 8.29, Std = 0.6700, ChiSquare = 2.8792e-01 2.V76 HA = 4.143(D), Expected = 4.19, Std = 0.5800, ChiSquare = 9.3541e-01 2.V76 HB = 1.714(D), Expected = 1.98, Std = 0.3200, ChiSquare = 4.0583e-01 2.V76 HG11 = 0.771(D), Expected = 0.83, Std = 0.2600, ChiSquare = 8.2048e-01 2.V76 HG12 = 0.771(D), Expected = 0.83, Std = 0.2600, ChiSquare = 8.2048e-01 2.V76 HG13 = 0.771(D), Expected = 0.83, Std = 0.2600, ChiSquare = 8.2048e-01 2.V76 HG21 = 0.765(D), Expected = 0.80, Std = 0.2800, ChiSquare = 9.0052e-01 2.V76 HG22 = 0.765(D), Expected = 0.80, Std = 0.2800, ChiSquare = 9.0052e-01 2.V76 HG23 = 0.765(D), Expected = 0.80, Std = 0.2800, ChiSquare = 9.0052e-01 2.V76 N = 128.055(D), Expected = 121.14, Std = 4.5400, ChiSquare = 1.2773e-01 2.I77 CA = 60.607(D), Expected = 61.61, Std = 2.6800, ChiSquare = 7.0822e-01 2.I77 CB = 38.499(D), Expected = 38.63, Std = 2.0200, ChiSquare = 9.4829e-01 2.I77 CG1 = 27.487(D), Expected = 27.71, Std = 1.6800, ChiSquare = 8.9440e-01 2.I77 CG2 = 17.462(D), Expected = 17.53, Std = 1.3600, ChiSquare = 9.6012e-01 2.I77 CD1 = 13.212(D), Expected = 13.43, Std = 1.6700, ChiSquare = 8.9614e-01 2.I77 H = 8.191(D), Expected = 8.28, Std = 0.6800, ChiSquare = 8.9587e-01 2.I77 HA = 4.523(D), Expected = 4.18, Std = 0.5600, ChiSquare = 5.4021e-01 2.I77 HB = 1.683(D), Expected = 1.78, Std = 0.2900, ChiSquare = 7.3802e-01 2.I77 HG12 = 1.331(D), Expected = 1.28, Std = 0.4000, ChiSquare = 8.9854e-01 2.I77 HG13 = 0.594(D), Expected = 1.19, Std = 0.4100, ChiSquare = 1.4604e-01 2.I77 HG21 = 0.867(D), Expected = 0.77, Std = 0.2700, ChiSquare = 7.1940e-01 2.I77 HG22 = 0.867(D), Expected = 0.77, Std = 0.2700, ChiSquare = 7.1940e-01 2.I77 HG23 = 0.867(D), Expected = 0.77, Std = 0.2700, ChiSquare = 7.1940e-01 2.I77 HD11 = 0.717(D), Expected = 0.68, Std = 0.2900, ChiSquare = 8.9848e-01 2.I77 HD12 = 0.717(D), Expected = 0.68, Std = 0.2900, ChiSquare = 8.9848e-01 2.I77 HD13 = 0.717(D), Expected = 0.68, Std = 0.2900, ChiSquare = 8.9848e-01 2.I77 N = 126.649(D), Expected = 121.46, Std = 4.2800, ChiSquare = 2.2537e-01 2.K78 CA = 57.339(D), Expected = 56.95, Std = 2.2000, ChiSquare = 8.5965e-01 2.K78 CB = 33.326(D), Expected = 32.79, Std = 1.7800, ChiSquare = 7.6332e-01 2.K78 CG = 24.776(D), Expected = 24.89, Std = 1.1300, ChiSquare = 9.1964e-01 2.K78 CD = 28.908(D), Expected = 28.96, Std = 1.0800, ChiSquare = 9.6160e-01 2.K78 CE = 41.306(D), Expected = 41.89, Std = 0.8200, ChiSquare = 4.7634e-01 2.K78 H = 9.053(D), Expected = 8.19, Std = 0.6000, ChiSquare = 1.5034e-01 2.K78 HA = 4.148(D), Expected = 4.27, Std = 0.4400, ChiSquare = 7.8157e-01 2.K78 HB2 = 1.801(D), Expected = 1.78, Std = 0.2500, ChiSquare = 9.3306e-01 2.K78 HB3 = 1.657(D), Expected = 1.74, Std = 0.2700, ChiSquare = 7.5853e-01 2.K78 HG2 = 1.365(D), Expected = 1.37, Std = 0.2600, ChiSquare = 9.8466e-01 2.K78 HG3 = 1.292(D), Expected = 1.35, Std = 0.2800, ChiSquare = 8.3590e-01 2.K78 HD2 = 1.589(D), Expected = 1.61, Std = 0.2200, ChiSquare = 9.2395e-01 2.K78 HD3 = 1.589(D), Expected = 1.60, Std = 0.2200, ChiSquare = 9.6012e-01 2.K78 HE2 = 2.903(D), Expected = 2.92, Std = 0.1900, ChiSquare = 9.2871e-01 2.K78 HE3 = 2.783(D), Expected = 2.91, Std = 0.2000, ChiSquare = 5.2543e-01 2.K78 N = 134.524(S), Expected = 121.05, Std = 3.7700, ChiSquare = 3.5156e-04