Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> L 0.5 G 0.19 D 0.09 F 0.08 C 0.06 K 0.03 I 0.01 C Shift Assignments>> CA :: 43.609 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> HA2 :: 3.895 HA3 :: 3.835 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 1.I2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> I 0.73 C 0.26 C Shift Assignments>> CA :: 62.238 CB :: 39.295 CG1 :: 27.419 CG2 :: 16.967 CD1 :: 12.669 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 :: 8.173 HA :: 4.261 HB :: 1.928 HG12 :: 1.254 HG13 :: 1.539 HG21 :: 0.988 HG22 :: 0.988 HG23 :: 0.988 HD11 :: 0.922 HD12 :: 0.922 HD13 :: 0.922 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) 1.G3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.07 C 0.03 C Shift Assignments>> CA :: 45.784 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.088 HA2 :: 3.896 HA3 :: 3.950 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.274 Ave N Shift Values>> N :: 109.67(3.87) 1.A4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> A 0.94 C 0.03 I 0.02 C Shift Assignments>> CA :: 54.157 CB :: 18.017 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.800 HA :: 4.192 HB1 :: 1.354 HB2 :: 1.354 HB3 :: 1.354 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) 1.F5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.39 F 0.31 C 0.25 E 0.01 L 0.01 C Shift Assignments>> CA :: 59.932 CB :: 38.734 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 :: 7.698 HA :: 4.418 HB2 :: 3.135 HB3 :: 3.190 HD1 :: 7.238 HD2 :: 7.238 HE1 :: 7.329 HE2 :: 7.329 HZ :: 7.275 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 :: 115.812 Ave N Shift Values>> N :: 120.45(4.18) 1.G6 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 7.963 HA2 :: 3.779 HA3 :: 3.883 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.371 Ave N Shift Values>> N :: 109.67(3.87) 1.L7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> L 0.47 C 0.45 G 0.04 A 0.02 C Shift Assignments>> CA :: 57.866 CB :: 42.405 CD1 :: 21.776 CD2 :: 23.072 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 :: 7.568 HA :: 4.310 HB2 :: 1.678 HB3 :: 1.820 HG :: 1.684 HD11 :: 0.924 HD12 :: 0.924 HD13 :: 0.924 HD21 :: 0.990 HD22 :: 0.990 HD23 :: 0.990 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) 1.L8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> L 0.51 C 0.47 C Shift Assignments>> CA :: 58.554 CB :: 41.540 CD1 :: 22.712 CD2 :: 24.498 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 :: 7.847 HA :: 4.110 HB2 :: 1.628 HB3 :: 1.763 HG :: 1.631 HD11 :: 0.903 HD12 :: 0.903 HD13 :: 0.903 HD21 :: 0.949 HD22 :: 0.949 HD23 :: 0.949 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) 1.G9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.87 C 0.06 L 0.04 C Shift Assignments>> CA :: 47.037 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.780 HA2 :: 3.746 HA3 :: 3.746 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 1.F10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.52 F 0.25 C 0.21 C Shift Assignments>> CA :: 61.080 CB :: 39.143 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 :: 7.642 HA :: 4.358 HB2 :: 3.211 HB3 :: 3.312 HD1 :: 7.202 HD2 :: 7.202 HE1 :: 7.246 HE2 :: 7.246 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 :: 115.090 Ave N Shift Values>> N :: 120.45(4.18) 1.L11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.63 C 0.35 C Shift Assignments>> CA :: 57.995 CB :: 41.792 CD1 :: 23.761 CD2 :: 24.635 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 :: 8.433 HA :: 4.040 HB2 :: 1.953 HB3 :: 1.996 HG :: 1.506 HD11 :: 0.931 HD12 :: 0.931 HD13 :: 0.931 HD21 :: 0.931 HD22 :: 0.931 HD23 :: 0.931 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 :: 121.287 Ave N Shift Values>> N :: 121.86(3.9) 1.A12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.84 I 0.09 C 0.05 C Shift Assignments>> CA :: 55.112 CB :: 17.727 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.692 HA :: 4.045 HB1 :: 1.481 HB2 :: 1.481 HB3 :: 1.481 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.255 Ave N Shift Values>> N :: 123.23(3.54) 1.A13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.88 I 0.06 C 0.04 C Shift Assignments>> CA :: 54.887 CB :: 17.896 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.980 HA :: 4.143 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 :: 120.430 Ave N Shift Values>> N :: 123.23(3.54) 1.G14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.06 C 0.04 C Shift Assignments>> CA :: 46.435 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.136 HA2 :: 3.780 HA3 :: 3.892 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.498 Ave N Shift Values>> N :: 109.67(3.87) 1.S15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 60.153 CB :: 63.683 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.011 HA :: 4.293 HB2 :: 3.964 HB3 :: 4.006 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 :: 115.226 Ave N Shift Values>> N :: 116.28(3.52) 1.K16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.38 C 0.35 Q 0.24 C Shift Assignments>> CA :: 56.871 CB :: 32.326 CD :: 28.916 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 :: 7.732 HA :: 4.317 HB2 :: 1.940 HB3 :: 1.940 HG2 :: 1.495 HG3 :: 1.533 HD2 :: 1.716 HD3 :: 1.716 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.873 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.5 C 0.48 G 0.01 C Shift Assignments>> CA :: 56.732 CB :: 33.339 CE :: 42.369 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 :: 7.867 HA :: 4.281 HB2 :: 1.841 HB3 :: 1.841 HG2 :: 1.483 HG3 :: 1.483 HE2 :: 2.999 HE3 :: 2.999 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.192 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.ACA18 Overall Status: Residue type ACA not supported. 1.K19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.51 C 0.47 C Shift Assignments>> CA :: 56.878 CB :: 33.326 CG :: 24.746 CE :: 42.122 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 :: 8.114 HA :: 4.356 HB2 :: 1.805 HB3 :: 1.881 HG2 :: 1.511 HG3 :: 1.511 HE2 :: 3.042 HE3 :: 3.042 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 :: 124.148 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.5 D 0.24 C 0.08 F 0.08 L 0.07 C Shift Assignments>> CA :: 53.118 CB :: 39.267 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 :: 8.090 HA :: 4.686 HB2 :: 3.010 HB3 :: 3.010 HD21 :: 6.745 HD22 :: 7.389 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 :: 115.616 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.37 E 0.26 I 0.25 K 0.07 Q 0.03 C Shift Assignments>> CA :: 60.305 CB :: 28.991 CG :: 35.991 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 :: 9.229 HA :: 4.048 HB2 :: 2.124 HB3 :: 2.124 HG2 :: 2.407 HG3 :: 2.462 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) 1.Q22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 Q 0.22 K 0.2 E 0.08 I 0.06 C Shift Assignments>> CA :: 59.515 CB :: 28.062 CG :: 34.203 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 :: 8.192 HA :: 4.063 HB2 :: 2.193 HB3 :: 2.193 HG2 :: 2.463 HG3 :: 2.463 HE21 :: 6.568 HE22 :: 7.239 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 :: 117.734 NE2 :: 109.789 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 E 0.35 I 0.16 K 0.05 Q 0.02 C Shift Assignments>> CA :: 59.510 CB :: 29.737 CG :: 36.376 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 :: 8.093 HA :: 4.100 HB2 :: 2.161 HB3 :: 2.161 HG2 :: 2.371 HG3 :: 2.590 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 :: 118.324 Ave N Shift Values>> N :: 120.67(3.48) 1.L24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 C 0.47 C Shift Assignments>> CA :: 58.173 CB :: 41.841 CG :: 27.183 CD1 :: 23.045 CD2 :: 23.870 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 :: 7.769 HA :: 4.191 HB2 :: 1.717 HB3 :: 1.853 HG :: 1.747 HD11 :: 0.928 HD12 :: 0.928 HD13 :: 0.928 HD21 :: 0.928 HD22 :: 0.928 HD23 :: 0.928 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 :: 119.313 Ave N Shift Values>> N :: 121.86(3.9) 1.L25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.5 C 0.48 C Shift Assignments>> CA :: 58.150 CB :: 41.864 CG :: 27.127 CD1 :: 22.869 CD2 :: 23.647 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 :: 7.994 HA :: 4.183 HB2 :: 1.648 HB3 :: 1.956 HG :: 1.853 HD11 :: 0.947 HD12 :: 0.947 HD13 :: 0.947 HD21 :: 0.947 HD22 :: 0.947 HD23 :: 0.947 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 :: 118.882 Ave N Shift Values>> N :: 121.86(3.9) 1.E26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.34 E 0.27 K 0.15 Q 0.12 I 0.09 C Shift Assignments>> CA :: 59.112 CB :: 29.050 CG :: 35.361 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 :: 7.908 HA :: 4.179 HB2 :: 2.242 HB3 :: 2.242 HG2 :: 2.459 HG3 :: 2.544 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) 1.L27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 C 0.45 C Shift Assignments>> CA :: 58.572 CB :: 41.966 CG :: 27.270 CD1 :: 24.203 CD2 :: 23.799 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 :: 8.166 HA :: 4.295 HB2 :: 1.897 HB3 :: 1.897 HG :: 1.856 HD11 :: 0.935 HD12 :: 0.935 HD13 :: 0.935 HD21 :: 0.998 HD22 :: 0.998 HD23 :: 0.998 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 :: 121.478 Ave N Shift Values>> N :: 121.86(3.9) 1.D28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> F 0.29 L 0.18 K 0.18 D 0.13 C 0.12 I 0.05 N 0.01 C Shift Assignments>> CA :: 57.418 CB :: 40.978 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 :: 8.418 HA :: 4.478 HB2 :: 2.844 HB3 :: 2.914 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) 1.K29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 K 0.44 G 0.01 C Shift Assignments>> CA :: 59.435 CB :: 31.988 CG :: 24.696 CE :: 42.302 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 :: 8.096 HA :: 4.077 HB2 :: 1.980 HB3 :: 2.067 HG2 :: 1.447 HG3 :: 1.582 HD2 :: 1.707 HD3 :: 1.707 HE2 :: 2.899 HE3 :: 2.945 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.413 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.W30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.28 C 0.27 W 0.18 E 0.09 K 0.09 Q 0.06 C Shift Assignments>> CA :: 60.780 CB :: 29.156 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.335 HA :: 4.419 HB2 :: 3.378 HB3 :: 3.479 HD1 :: 7.167 HE1 :: 9.234 HE3 :: 7.680 HZ2 :: 7.241 HZ3 :: 7.135 HH2 :: 7.240 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 121.364 NE1 :: 125.681 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.A31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.79 I 0.13 C 0.06 C Shift Assignments>> CA :: 55.414 CB :: 17.774 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.975 HA :: 3.840 HB1 :: 1.551 HB2 :: 1.551 HB3 :: 1.551 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.401 Ave N Shift Values>> N :: 123.23(3.54) 1.S32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 61.464 CB :: 63.276 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.050 HA :: 4.257 HB2 :: 4.008 HB3 :: 4.092 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 :: 113.071 Ave N Shift Values>> N :: 116.28(3.52) 1.L33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.63 C 0.34 A 0.01 G 0.01 C Shift Assignments>> CA :: 57.312 CB :: 41.991 CD1 :: 22.738 CD2 :: 24.289 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 :: 7.791 HA :: 4.117 HB2 :: 1.288 HB3 :: 1.634 HG :: 1.594 HD11 :: 0.817 HD12 :: 0.817 HD13 :: 0.817 HD21 :: 0.756 HD22 :: 0.756 HD23 :: 0.756 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 :: 123.391 Ave N Shift Values>> N :: 121.86(3.9) 1.W34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.21 E 0.19 C 0.19 Q 0.16 K 0.16 I 0.05 C Shift Assignments>> CA :: 58.115 CB :: 29.545 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 7.796 HA :: 4.503 HB2 :: 2.931 HB3 :: 3.159 HD1 :: 6.767 HE1 :: 8.201 HE3 :: 7.538 HZ2 :: 7.294 HZ3 :: 7.114 HH2 :: 7.177 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> NE1 :: 125.422 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.N35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.39 D 0.28 F 0.11 L 0.1 C 0.09 C Shift Assignments>> CA :: 53.812 CB :: 39.495 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 :: 7.885 HA :: 4.669 HB2 :: 2.702 HB3 :: 2.765 HD21 :: 6.444 HD22 :: 7.419 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 :: 117.937 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) ########################################################################### Overall Results: #Consistent: 34 #Clerical: 0 #Suspicious: 0 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 33 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 1 Shift Relative Order (SRO) Results: #Consistent: 34 #Suspicious: 0 C Shift Results: #Consistent: 92 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 243 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 27 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0