Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.S1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> F 0.14 Y 0.14 E 0.12 S 0.1 K 0.1 R 0.09 H 0.08 Q 0.08 L 0.04 I 0.02 D 0.01 V 0.01 T 0.01 C Shift Assignments>> C :: 173.464 CA :: 57.883 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) 1.D2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.92 N 0.07 C Shift Assignments>> C :: 175.545 CA :: 54.201 CB :: 41.315 CG :: 179.649 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>> HA :: 4.522 HB2 :: 2.490 HB3 :: 2.567 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 :: 122.143 Ave N Shift Values>> N :: 120.65(3.86) 1.N3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.8 D 0.19 C Shift Assignments>> C :: 174.799 CA :: 53.356 CB :: 38.688 CG :: 176.688 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>> HA :: 4.477 HB2 :: 2.499 HB3 :: 2.499 HD21 :: 7.424 HD22 :: 6.782 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 :: 119.328 ND2 :: 112.841 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.74 R 0.24 G 0.01 C Shift Assignments>> C :: 176.101 CA :: 56.462 CB :: 32.420 CG :: 24.465 CD :: 28.942 CE :: 42.041 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 :: 8.177 HA :: 4.075 HB2 :: 1.548 HB3 :: 1.594 HG2 :: 1.143 HG3 :: 1.143 HD2 :: 1.511 HD3 :: 1.511 HE2 :: 2.862 HE3 :: 2.857 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 :: 121.245 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.52 F 0.47 C Shift Assignments>> C :: 176.320 CA :: 55.781 CB :: 39.735 CD2 :: 130.855 CE2 :: 131.281 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 :: 8.026 HA :: 4.878 HB2 :: 3.227 HB3 :: 2.925 HD1 :: 7.064 HD2 :: 7.064 HE1 :: 7.026 HE2 :: 7.026 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 :: 119.787 Ave N Shift Values>> N :: 120.45(4.18) 1.N6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.94 D 0.05 C Shift Assignments>> C :: 175.318 CA :: 52.284 CB :: 38.232 CG :: 175.393 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 :: 8.421 HA :: 4.623 HB2 :: 2.853 HB3 :: 3.145 HD21 :: 7.472 HD22 :: 6.876 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 :: 120.990 ND2 :: 110.850 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.87 R 0.11 G 0.01 C Shift Assignments>> C :: 177.995 CA :: 59.671 CB :: 32.433 CG :: 24.931 CD :: 29.567 CE :: 41.919 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 :: 8.293 HA :: 4.010 HB2 :: 1.863 HB3 :: 1.863 HG2 :: 1.520 HG3 :: 1.311 HD2 :: 1.630 HD3 :: 1.630 HE2 :: 2.871 HE3 :: 2.871 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 :: 119.624 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.49 I 0.38 K 0.08 Q 0.02 C Shift Assignments>> C :: 179.536 CA :: 59.575 CB :: 29.116 CG :: 36.561 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 :: 8.180 HA :: 4.008 HB2 :: 1.963 HB3 :: 2.034 HG2 :: 2.229 HG3 :: 2.229 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 :: 119.667 Ave N Shift Values>> N :: 120.67(3.48) 1.Q9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.9 E 0.09 C Shift Assignments>> C :: 177.040 CA :: 58.754 CB :: 27.929 CG :: 33.908 CD :: 179.331 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 :: 8.445 HA :: 3.769 HB2 :: 1.590 HB3 :: 2.081 HG2 :: 2.331 HG3 :: 2.244 HE21 :: 7.055 HE22 :: 7.272 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 :: 121.254 NE2 :: 112.083 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.86 E 0.13 C Shift Assignments>> C :: 178.089 CA :: 58.767 CB :: 28.539 CG :: 33.936 CD :: 179.620 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 :: 8.509 HA :: 3.883 HB2 :: 2.104 HB3 :: 2.104 HG2 :: 2.365 HG3 :: 2.365 HE21 :: 7.145 HE22 :: 6.789 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 :: 118.740 NE2 :: 111.797 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.N11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.86 D 0.13 C Shift Assignments>> C :: 177.072 CA :: 56.046 CB :: 38.176 CG :: 175.830 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 :: 8.242 HA :: 4.516 HB2 :: 2.822 HB3 :: 2.822 HD21 :: 6.953 HD22 :: 7.640 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 :: 118.035 ND2 :: 112.278 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.87 I 0.1 V 0.01 C Shift Assignments>> C :: 177.986 CA :: 55.407 CB :: 18.273 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.836 HA :: 4.026 HB1 :: 1.370 HB2 :: 1.370 HB3 :: 1.370 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.725 Ave N Shift Values>> N :: 123.23(3.54) 1.F13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.51 F 0.48 C Shift Assignments>> C :: 176.071 CA :: 60.743 CB :: 38.841 CD1 :: 131.382 CE2 :: 131.415 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 :: 8.136 HA :: 3.796 HB2 :: 2.920 HB3 :: 3.196 HD1 :: 6.941 HD2 :: 6.941 HE1 :: 7.166 HE2 :: 7.166 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 117.781 Ave N Shift Values>> N :: 120.45(4.18) 1.Y14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.71 F 0.28 C Shift Assignments>> C :: 178.273 CA :: 61.998 CB :: 38.170 CD2 :: 133.227 CE2 :: 118.209 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 :: 7.983 HA :: 3.891 HB2 :: 3.109 HB3 :: 3.139 HD1 :: 7.074 HD2 :: 7.074 HE1 :: 6.656 HE2 :: 6.656 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 :: 117.089 Ave N Shift Values>> N :: 120.52(4.2) 1.E15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.98 Q 0.01 HN Overlap>> 1.I31 1.I31 C Shift Assignments>> C :: 179.980 CA :: 60.334 CB :: 29.742 CG :: 36.703 CD :: 182.169 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 :: 8.307 HA :: 3.911 HB2 :: 1.929 HB3 :: 2.066 HG2 :: 2.371 HG3 :: 2.112 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 :: 118.958 Ave N Shift Values>> N :: 120.67(3.48) 1.I16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.Q32 1.L45 1.Q32 1.L45 C Shift Assignments>> C :: 177.717 CA :: 65.101 CB :: 37.366 CG1 :: 30.036 CG2 :: 18.346 CD1 :: 13.733 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 :: 8.268 HA :: 3.366 HB :: 1.767 HG12 :: 0.616 HG13 :: 1.698 HG21 :: 0.770 HG22 :: 0.770 HG23 :: 0.770 HD11 :: 0.479 HD12 :: 0.479 HD13 :: 0.479 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 :: 119.275 Ave N Shift Values>> N :: 121.46(4.28) 1.L17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.97 R 0.01 C Shift Assignments>> C :: 176.729 CA :: 57.351 CB :: 41.777 CG :: 26.499 CD1 :: 24.658 CD2 :: 23.453 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 :: 7.898 HA :: 3.618 HB2 :: 1.043 HB3 :: 1.409 HG :: 1.304 HD11 :: 0.521 HD12 :: 0.521 HD13 :: 0.521 HD21 :: 0.577 HD22 :: 0.577 HD23 :: 0.577 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 :: 118.123 Ave N Shift Values>> N :: 121.86(3.9) 1.H18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.99 C Shift Assignments>> C :: 174.595 CA :: 56.245 CB :: 29.663 CD2 :: 120.787 CE1 :: 136.659 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 :: 7.104 HA :: 4.366 HB2 :: 3.327 HB3 :: 2.660 HD2 :: 6.865 HE1 :: 7.854 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 :: 112.304 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.L19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.79 A 0.19 C Shift Assignments>> C :: 177.202 CA :: 53.245 CB :: 40.332 CG :: 25.237 CD1 :: 27.196 CD2 :: 23.386 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 :: 7.135 HA :: 4.446 HB2 :: 1.275 HB3 :: 1.695 HG :: 2.127 HD11 :: 0.621 HD12 :: 0.621 HD13 :: 0.621 HD21 :: 0.789 HD22 :: 0.789 HD23 :: 0.789 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 :: 124.385 Ave N Shift Values>> N :: 121.86(3.9) 1.P20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.99 C Shift Assignments>> C :: 177.839 CA :: 65.025 CB :: 32.572 CG :: 27.137 CD :: 51.397 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 :: 4.342 HB2 :: 2.218 HB3 :: 1.900 HG2 :: 1.953 HG3 :: 2.086 HD2 :: 3.746 HD3 :: 3.999 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) N Shift Assignments>> N :: 135.831 Ave N Shift Values>> N :: 134.16(6.62) 1.N21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.79 D 0.19 C Shift Assignments>> C :: 175.534 CA :: 52.655 CB :: 38.747 CG :: 177.016 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 :: 8.820 HA :: 4.940 HB2 :: 2.823 HB3 :: 2.823 HD21 :: 7.376 HD22 :: 6.919 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 :: 114.367 ND2 :: 114.824 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.39 R 0.23 G 0.19 A 0.17 C Shift Assignments>> C :: 176.928 CA :: 53.901 CB :: 43.650 CG :: 27.000 CD1 :: 27.306 CD2 :: 22.261 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 :: 6.460 HA :: 4.503 HB2 :: 1.585 HB3 :: 1.642 HG :: 1.658 HD11 :: 0.989 HD12 :: 0.989 HD13 :: 0.989 HD21 :: 0.910 HD22 :: 0.910 HD23 :: 0.910 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 116.963 Ave N Shift Values>> N :: 121.86(3.9) 1.T23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.183 CA :: 60.485 CB :: 70.502 CG2 :: 21.484 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 :: 8.745 HA :: 4.409 HB :: 4.649 HG21 :: 1.193 HG22 :: 1.193 HG23 :: 1.193 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 :: 112.697 Ave N Shift Values>> N :: 115.42(4.75) 1.E24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.99 C Shift Assignments>> C :: 178.056 CA :: 59.685 CB :: 28.987 CG :: 36.048 CD :: 183.497 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 :: 8.954 HA :: 3.882 HB2 :: 1.934 HB3 :: 1.934 HG2 :: 2.269 HG3 :: 2.269 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 :: 121.950 Ave N Shift Values>> N :: 120.67(3.48) 1.E25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.49 I 0.39 K 0.07 Q 0.02 C Shift Assignments>> C :: 180.025 CA :: 59.853 CB :: 29.287 CG :: 36.546 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 :: 8.521 HA :: 3.930 HB2 :: 1.794 HB3 :: 1.934 HG2 :: 2.177 HG3 :: 2.177 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 :: 117.872 Ave N Shift Values>> N :: 120.67(3.48) 1.Q26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.82 E 0.17 HN Overlap>> 1.A46 1.A46 C Shift Assignments>> C :: 178.465 CA :: 57.863 CB :: 28.447 CG :: 34.039 CD :: 179.843 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 :: 7.661 HA :: 3.698 HB2 :: 2.439 HB3 :: 1.534 HG2 :: 2.282 HG3 :: 2.375 HE21 :: 7.531 HE22 :: 8.166 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 :: 119.373 NE2 :: 111.601 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.R27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.8 G 0.11 K 0.08 C Shift Assignments>> C :: 177.354 CA :: 60.707 CB :: 30.474 CG :: 26.796 CD :: 42.966 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 :: 8.669 HA :: 3.697 HB2 :: 1.678 HB3 :: 1.828 HG2 :: 1.399 HG3 :: 1.666 HD2 :: 3.158 HD3 :: 3.295 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 :: 119.810 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.N28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.91 D 0.08 C Shift Assignments>> C :: 178.205 CA :: 55.846 CB :: 37.621 CG :: 175.667 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 :: 8.563 HA :: 4.307 HB2 :: 2.686 HB3 :: 2.762 HD21 :: 6.940 HD22 :: 7.521 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 :: 115.746 ND2 :: 112.068 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.05 A 0.01 C Shift Assignments>> C :: 176.232 CA :: 47.090 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.813 HA2 :: 3.675 HA3 :: 3.755 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.572 Ave N Shift Values>> N :: 109.67(3.87) 1.F30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.64 Y 0.35 C Shift Assignments>> C :: 177.768 CA :: 60.702 CB :: 39.154 CD1 :: 131.925 CE1 :: 130.617 CZ :: 129.118 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 :: 7.688 HA :: 4.519 HB2 :: 2.933 HB3 :: 2.933 HD1 :: 7.162 HD2 :: 7.162 HE1 :: 7.184 HE2 :: 7.184 HZ :: 6.967 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 :: 121.010 Ave N Shift Values>> N :: 120.45(4.18) 1.I31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.E15 1.E15 C Shift Assignments>> C :: 177.412 CA :: 64.682 CB :: 36.942 CG1 :: 29.128 CG2 :: 17.470 CD1 :: 12.406 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 :: 8.318 HA :: 3.620 HB :: 1.981 HG12 :: 1.199 HG13 :: 1.605 HG21 :: 0.850 HG22 :: 0.850 HG23 :: 0.850 HD11 :: 0.601 HD12 :: 0.601 HD13 :: 0.601 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 :: 119.010 Ave N Shift Values>> N :: 121.46(4.28) 1.Q32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.9 E 0.09 HN Overlap>> 1.I16 1.I16 1.L45 1.L45 C Shift Assignments>> C :: 177.886 CA :: 58.754 CB :: 27.985 CG :: 33.471 CD :: 180.301 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 :: 8.203 HA :: 3.807 HB2 :: 2.135 HB3 :: 2.135 HG2 :: 2.334 HG3 :: 2.334 HE21 :: 7.848 HE22 :: 6.848 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 :: 119.223 NE2 :: 116.570 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.S33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.757 CA :: 62.695 CB :: 62.848 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.945 HA :: 4.210 HB2 :: 4.094 HB3 :: 3.864 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 :: 115.254 Ave N Shift Values>> N :: 116.28(3.52) 1.L34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.79 R 0.16 G 0.04 C Shift Assignments>> C :: 177.538 CA :: 57.338 CB :: 42.737 CG :: 26.918 CD1 :: 25.629 CD2 :: 25.561 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 :: 7.884 HA :: 3.824 HB2 :: 1.566 HB3 :: 1.772 HG :: 1.685 HD11 :: 0.683 HD12 :: 0.683 HD13 :: 0.683 HD21 :: 0.652 HD22 :: 0.652 HD23 :: 0.652 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 :: 122.412 Ave N Shift Values>> N :: 121.86(3.9) 1.K35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.63 R 0.35 G 0.01 C Shift Assignments>> C :: 178.647 CA :: 59.393 CB :: 32.607 CG :: 26.116 CD :: 29.886 CE :: 41.933 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 :: 7.915 HA :: 3.914 HB2 :: 1.835 HB3 :: 1.900 HG2 :: 1.311 HG3 :: 1.713 HD2 :: 1.556 HD3 :: 1.556 HE2 :: 2.692 HE3 :: 2.769 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 116.622 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.89 N 0.1 C Shift Assignments>> C :: 177.002 CA :: 56.652 CB :: 40.921 CG :: 178.690 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 :: 8.067 HA :: 4.350 HB2 :: 2.611 HB3 :: 2.659 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 :: 118.304 Ave N Shift Values>> N :: 120.65(3.86) 1.D37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.98 N 0.01 C Shift Assignments>> C :: 172.001 CA :: 51.630 CB :: 40.864 CG :: 181.075 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 :: 7.462 HA :: 4.829 HB2 :: 2.457 HB3 :: 2.928 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 :: 114.688 Ave N Shift Values>> N :: 120.65(3.86) 1.P38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.99 C Shift Assignments>> C :: 178.154 CA :: 64.136 CB :: 32.002 CG :: 27.023 CD :: 49.861 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 :: 4.393 HB2 :: 2.213 HB3 :: 1.878 HG2 :: 2.003 HG3 :: 2.119 HD2 :: 3.568 HD3 :: 3.779 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) N Shift Assignments>> N :: 134.778 Ave N Shift Values>> N :: 134.16(6.62) 1.S39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.107 CA :: 61.193 CB :: 62.968 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.117 HA :: 4.146 HB2 :: 3.923 HB3 :: 3.850 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 :: 113.243 Ave N Shift Values>> N :: 116.28(3.52) 1.V40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.927 CA :: 60.982 CB :: 30.427 CG1 :: 21.471 CG2 :: 18.593 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 :: 7.192 HA :: 4.777 HB :: 2.563 HG11 :: 0.817 HG12 :: 0.817 HG13 :: 0.817 HG21 :: 0.915 HG22 :: 0.915 HG23 :: 0.915 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 :: 115.144 Ave N Shift Values>> N :: 121.14(4.54) 1.S41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.686 CA :: 63.056 CB :: 62.760 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.476 HA :: 3.709 HB2 :: 3.615 HB3 :: 3.812 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 :: 116.577 Ave N Shift Values>> N :: 116.28(3.52) 1.K42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.88 R 0.1 C Shift Assignments>> C :: 179.072 CA :: 60.092 CB :: 31.907 CG :: 25.019 CD :: 29.171 CE :: 41.721 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 :: 8.419 HA :: 3.860 HB2 :: 1.660 HB3 :: 1.756 HG2 :: 1.431 HG3 :: 1.297 HD2 :: 1.620 HD3 :: 1.620 HE2 :: 2.925 HE3 :: 2.925 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 :: 120.470 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.99 C Shift Assignments>> C :: 179.295 CA :: 59.919 CB :: 28.916 CG :: 37.119 CD :: 183.145 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 :: 8.220 HA :: 4.001 HB2 :: 1.977 HB3 :: 2.197 HG2 :: 2.181 HG3 :: 2.369 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 :: 121.592 Ave N Shift Values>> N :: 120.67(3.48) 1.I44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 177.213 CA :: 64.011 CB :: 37.498 CG1 :: 28.590 CG2 :: 17.757 CD1 :: 12.971 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 :: 8.226 HA :: 3.724 HB :: 1.693 HG12 :: 1.263 HG13 :: 1.550 HG21 :: 0.850 HG22 :: 0.850 HG23 :: 0.850 HD11 :: 0.731 HD12 :: 0.731 HD13 :: 0.731 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 :: 122.060 Ave N Shift Values>> N :: 121.46(4.28) 1.L45 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.I16 1.Q32 1.I16 1.Q32 C Shift Assignments>> C :: 177.740 CA :: 57.869 CB :: 41.692 CG :: 26.863 CD1 :: 23.812 CD2 :: 25.030 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 :: 8.224 HA :: 3.702 HB2 :: 1.403 HB3 :: 1.740 HG :: 1.471 HD11 :: 0.810 HD12 :: 0.810 HD13 :: 0.810 HD21 :: 0.799 HD22 :: 0.799 HD23 :: 0.799 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 :: 119.271 Ave N Shift Values>> N :: 121.86(3.9) 1.A46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.88 I 0.1 HN Overlap>> 1.Q26 1.Q26 C Shift Assignments>> C :: 180.692 CA :: 55.190 CB :: 17.828 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.596 HA :: 3.931 HB1 :: 1.408 HB2 :: 1.408 HB3 :: 1.408 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.283 Ave N Shift Values>> N :: 123.23(3.54) 1.E47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.96 Q 0.03 C Shift Assignments>> C :: 178.440 CA :: 59.079 CB :: 29.289 CG :: 35.808 CD :: 182.784 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 :: 7.773 HA :: 3.920 HB2 :: 2.085 HB3 :: 2.085 HG2 :: 2.370 HG3 :: 2.370 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 :: 120.020 Ave N Shift Values>> N :: 120.67(3.48) 1.A48 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.89 I 0.09 C Shift Assignments>> C :: 179.270 CA :: 55.123 CB :: 17.749 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.231 HA :: 3.387 HB1 :: 0.451(S) HB2 :: 0.451(S) HB3 :: 0.451(S) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.363 Ave N Shift Values>> N :: 123.23(3.54) 1.K49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.65 R 0.33 G 0.01 C Shift Assignments>> C :: 178.335 CA :: 60.174 CB :: 32.026 CG :: 26.541 CD :: 29.156 CE :: 41.777 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 :: 8.394 HA :: 3.682 HB2 :: 1.666 HB3 :: 1.851 HG2 :: 1.246 HG3 :: 1.532 HD2 :: 1.596 HD3 :: 1.507 HE2 :: 2.756 HE3 :: 2.857 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 :: 117.846 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.82 R 0.16 G 0.01 C Shift Assignments>> C :: 179.519 CA :: 59.708 CB :: 32.193 CG :: 24.686 CD :: 29.012 CE :: 41.969 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 :: 7.658 HA :: 3.896 HB2 :: 1.741 HB3 :: 1.782 HG2 :: 1.346 HG3 :: 1.429 HD2 :: 1.622 HD3 :: 1.622 HE2 :: 2.923 HE3 :: 2.923 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 :: 120.222 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.95 R 0.03 C Shift Assignments>> C :: 177.824 CA :: 57.510 CB :: 41.856 CG :: 26.876 CD1 :: 23.774 CD2 :: 24.778 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 :: 7.935 HA :: 4.113 HB2 :: 1.629 HB3 :: 1.699 HG :: 1.516 HD11 :: 0.922 HD12 :: 0.922 HD13 :: 0.922 HD21 :: 0.952 HD22 :: 0.952 HD23 :: 0.952 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 :: 122.073 Ave N Shift Values>> N :: 121.86(3.9) 1.N52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.53 D 0.31 N 0.15 C Shift Assignments>> C :: 177.361 CA :: 57.915 CB :: 41.824 CG :: 173.521 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 :: 8.458 HA :: 3.914 HB2 :: 2.326 HB3 :: 3.017 HD21 :: 6.790 HD22 :: 7.872 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 :: 116.971 ND2 :: 116.152 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.D53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.88 N 0.11 C Shift Assignments>> C :: 178.666 CA :: 56.882 CB :: 39.948 CG :: 179.064 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 :: 8.183 HA :: 4.377 HB2 :: 2.623 HB3 :: 2.689 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 :: 118.772 Ave N Shift Values>> N :: 120.65(3.86) 1.A54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.96 I 0.02 C Shift Assignments>> C :: 179.066 CA :: 54.307 CB :: 18.486 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.976 HA :: 4.165 HB1 :: 1.522 HB2 :: 1.522 HB3 :: 1.522 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.023 Ave N Shift Values>> N :: 123.23(3.54) 1.Q55 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> E 0.76 Q 0.21 D 0.01 C Shift Assignments>> C :: 173.866 CA :: 54.981 CB :: 28.274 CG :: 35.933 CD :: 181.394 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 :: 7.473 HA :: 4.304 HB2 :: 2.401 HB3 :: 1.750 HG2 :: 2.560 HG3 :: 2.224 HE21 :: 7.222 HE22 :: 9.010(S) 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 :: 115.053 NE2 :: 111.505 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.99 C Shift Assignments>> C :: 175.232 CA :: 51.028 CB :: 17.856 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.037 HA :: 4.269 HB1 :: 1.366 HB2 :: 1.366 HB3 :: 1.366 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.523 Ave N Shift Values>> N :: 123.23(3.54) 1.P57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.99 C Shift Assignments>> C :: 175.824 CA :: 63.275 CB :: 31.909 CG :: 27.449 CD :: 50.498 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 :: 4.338 HB2 :: 1.881 HB3 :: 2.226 HG2 :: 1.977 HG3 :: 2.022 HD2 :: 3.545 HD3 :: 3.708 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) N Shift Assignments>> N :: 136.702 Ave N Shift Values>> N :: 134.16(6.62) 1.K58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.79 R 0.17 G 0.02 C Shift Assignments>> C :: 181.206 CA :: 57.340 CB :: 33.780 CG :: 24.640 CD :: 28.891 CE :: 42.341 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 :: 7.995 HA :: 4.101 HB2 :: 1.622 HB3 :: 1.779 HG2 :: 1.358 HG3 :: 1.358 HD2 :: 1.599 HD3 :: 1.599 HE2 :: 2.951 HE3 :: 2.951 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 :: 127.458 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) ########################################################################### Overall Results: #Consistent: 56 #Clerical: 0 #Suspicious: 2 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 58 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 58 #Suspicious: 0 C Shift Results: #Consistent: 272 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 414 #Duplicate: 0 #Unknown: 0 #Suspicious: 4 #Anomalous: 0 N Shift Results: #Consistent: 68 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.A48 HB1 = 0.451(S), Expected = 1.35, Std = 0.2600, ChiSquare = 5.4482e-04 1.A48 HB2 = 0.451(S), Expected = 1.35, Std = 0.2600, ChiSquare = 5.4482e-04 1.A48 HB3 = 0.451(S), Expected = 1.35, Std = 0.2600, ChiSquare = 5.4482e-04 1.Q55 HE22 = 9.010(S), Expected = 7.02, Std = 0.4400, ChiSquare = 6.1048e-06