Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.A2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> A 0.93 M 0.05 L 0.01 C Shift Assignments>> CA :: 51.966 CB :: 19.732 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> HA :: 4.074 HB1 :: 1.531 HB2 :: 1.531 HB3 :: 1.531 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) 1.D3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> D 0.3 L 0.26 K 0.16 F 0.09 N 0.06 Y 0.06 R 0.03 C Shift Assignments>> C :: 175.822 CA :: 54.440 CB :: 41.577 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 :: 4.632 HB2 :: 2.742 HB3 :: 2.581 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.K4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.78 R 0.19 G 0.01 C Shift Assignments>> C :: 176.011 CA :: 56.213 CB :: 33.407 CG :: 24.826 CD :: 29.286 CE :: 42.316 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 :: 4.379 HB2 :: 1.864 HB3 :: 1.811 HG2 :: 1.496 HG3 :: 1.493 HD2 :: 1.761 HD3 :: 1.761 HE2 :: 3.010 HE3 :: 3.010 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 :: 121.655 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.82 G 0.09 R 0.07 A 0.01 C Shift Assignments>> C :: 175.682 CA :: 55.117 CB :: 43.197 CG :: 26.500 CD1 :: 24.024 CD2 :: 25.319 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 :: 8.136 HA :: 4.351 HB2 :: 1.606 HB3 :: 1.374 HG :: 1.806 HD11 :: 0.682 HD12 :: 0.682 HD13 :: 0.682 HD21 :: 0.554 HD22 :: 0.554 HD23 :: 0.554 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 :: 125.369 Ave N Shift Values>> N :: 121.86(3.9) 1.K6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.79 R 0.17 G 0.01 C Shift Assignments>> C :: 174.665 CA :: 55.974 CB :: 34.386 CG :: 24.733 CD :: 29.350 CE :: 42.290 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 :: 8.615 HA :: 4.451 HB2 :: 1.814 HB3 :: 1.755 HG2 :: 1.394 HG3 :: 1.393 HD2 :: 1.625 HD3 :: 1.596 HE2 :: 2.947 HE3 :: 2.946 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 :: 126.844 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.89 G 0.1 C Shift Assignments>> C :: 173.569 CA :: 55.813 CB :: 42.975 CD1 :: 131.423 CD2 :: 131.430 CE1 :: 131.742 CE2 :: 131.742 CZ :: 130.407 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 :: 7.734 HA :: 5.343 HB2 :: 2.736 HB3 :: 2.262 HD1 :: 6.710 HD2 :: 6.711 HE1 :: 7.348 HE2 :: 7.348 HZ :: 7.624 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 :: 119.818 Ave N Shift Values>> N :: 120.45(4.18) 1.E8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.7 E 0.29 C Shift Assignments>> C :: 175.026 CA :: 55.221 CB :: 33.699 CG :: 35.824 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 :: 8.295 HA :: 4.158 HB2 :: 1.691 HB3 :: 1.664 HG2 :: 2.020 HG3 :: 1.775 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 :: 119.165 Ave N Shift Values>> N :: 120.67(3.48) 1.I9 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 174.902 CA :: 62.505 CB :: 36.094 CG1 :: 27.922 CG2 :: 17.147 CD1 :: 11.996 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 :: 9.157 HA :: 3.768 HB :: 1.524 HG12 :: 1.228 HG13 :: 0.379 HG21 :: 0.271 HG22 :: 0.271 HG23 :: 0.271 HD11 :: -0.375(S) HD12 :: -0.375(S) HD13 :: -0.375(S) 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 :: 127.619 Ave N Shift Values>> N :: 121.46(4.28) 1.I10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 176.247 CA :: 60.554 CB :: 37.406 CG1 :: 27.355 CG2 :: 17.125 CD1 :: 9.921 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 :: 8.428 HA :: 3.861 HB :: 1.455 HG12 :: 1.307 HG13 :: 1.090 HG21 :: 0.786 HG22 :: 0.786 HG23 :: 0.786 HD11 :: 0.573 HD12 :: 0.573 HD13 :: 0.573 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 :: 131.245 Ave N Shift Values>> N :: 121.46(4.28) 1.E11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.65 E 0.34 C Shift Assignments>> C :: 174.155 CA :: 55.755 CB :: 34.386 CG :: 36.056 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 :: 7.551 HA :: 4.315 HB2 :: 1.773 HB3 :: 1.660 HG2 :: 2.206 HG3 :: 1.969 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 :: 117.669 Ave N Shift Values>> N :: 120.67(3.48) 1.E12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.69 M 0.17 K 0.1 I 0.02 C Shift Assignments>> C :: 176.877 CA :: 54.801 CB :: 30.137 CG :: 36.421 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 :: 8.762 HA :: 5.214 HB2 :: 1.903 HB3 :: 1.703 HG2 :: 1.816 HG3 :: 1.710 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 :: 128.587 Ave N Shift Values>> N :: 120.67(3.48) 1.L13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.66 R 0.3 G 0.01 C Shift Assignments>> C :: 176.060 CA :: 57.372 CB :: 42.284 CG :: 28.163 CD1 :: 25.727 CD2 :: 24.343 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 :: 8.058 HA :: 4.872 HB2 :: 2.001 HB3 :: 1.344 HG :: 1.496 HD11 :: 0.786 HD12 :: 0.786 HD13 :: 0.786 HD21 :: 0.768 HD22 :: 0.768 HD23 :: 0.768 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 :: 122.508 Ave N Shift Values>> N :: 121.86(3.9) 1.I14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.84 I 0.14 C Shift Assignments>> C :: 174.893 CA :: 60.586 CB :: 44.329 CG1 :: 27.402 CG2 :: 18.498 CD1 :: 15.292 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 :: 8.450 HA :: 4.553 HB :: 1.629 HG12 :: 1.496 HG13 :: 1.086 HG21 :: 0.809 HG22 :: 0.809 HG23 :: 0.809 HD11 :: 0.861 HD12 :: 0.861 HD13 :: 0.861 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 :: 115.422 Ave N Shift Values>> N :: 121.46(4.28) 1.V15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.180 CA :: 63.288 CB :: 32.117 CG1 :: 21.837 CG2 :: 21.550 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 :: 8.867 HA :: 4.196 HB :: 2.070 HG11 :: 0.945 HG12 :: 0.945 HG13 :: 0.945 HG21 :: 0.989 HG22 :: 0.989 HG23 :: 0.989 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 :: 129.108 Ave N Shift Values>> N :: 121.14(4.54) 1.L16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.69 R 0.27 K 0.01 G 0.01 C Shift Assignments>> C :: 176.070 CA :: 57.252 CB :: 42.035 CG :: 27.634 CD1 :: 26.505 CD2 :: 24.318 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 :: 9.555 HA :: 4.317 HB2 :: 1.668 HB3 :: 1.447 HG :: 1.647 HD11 :: 0.801 HD12 :: 0.801 HD13 :: 0.801 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 :: 127.846 Ave N Shift Values>> N :: 121.86(3.9) 1.S17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.277 CA :: 57.882 CB :: 64.046 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.699 HA :: 4.540 HB2 :: 4.412 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 :: 107.073 Ave N Shift Values>> N :: 116.28(3.52) 1.E18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.61 E 0.38 C Shift Assignments>> C :: 175.469 CA :: 55.248 CB :: 33.454 CG :: 36.523 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 :: 8.437 HA :: 5.143 HB2 :: 1.961 HB3 :: 1.918 HG2 :: 2.385 HG3 :: 1.991 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 :: 119.235 Ave N Shift Values>> N :: 120.67(3.48) 1.N19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.64 D 0.23 L 0.05 F 0.03 Y 0.03 C Shift Assignments>> CA :: 50.916 CB :: 39.482 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 :: 8.779 HA :: 5.097 HB2 :: 3.611 HB3 :: 3.040 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 :: 123.988 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.52 M 0.43 I 0.02 HN Overlap>> 1.S31 1.S31 C Shift Assignments>> C :: 179.032 CA :: 54.924 CB :: 18.621 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.616 HA :: 4.239 HB1 :: 1.526 HB2 :: 1.526 HB3 :: 1.526 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.854 Ave N Shift Values>> N :: 123.23(3.54) 1.K21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.76 R 0.22 G 0.01 C Shift Assignments>> C :: 176.615 CA :: 55.503 CB :: 32.742 CG :: 24.763 CD :: 28.808 CE :: 42.035 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 :: 7.767 HA :: 4.497 HB2 :: 1.794 HB3 :: 2.168 HG2 :: 1.394 HG3 :: 1.394 HD2 :: 1.529 HD3 :: 1.496 HE2 :: 2.881 HE3 :: 2.881 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 :: 115.771 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.1 R 0.01 C Shift Assignments>> C :: 174.843 CA :: 45.297 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.317 HA2 :: 4.324 HA3 :: 3.828 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.695 Ave N Shift Values>> N :: 109.67(3.87) 1.W23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.99 C Shift Assignments>> C :: 176.754 CA :: 58.291 CB :: 28.127 CD1 :: 124.710 CE3 :: 120.968 CZ2 :: 114.203 CZ3 :: 120.876 CH2 :: 124.802 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 :: 7.983 HA :: 4.815 HB2 :: 2.928 HB3 :: 2.883 HD1 :: 7.066 HE1 :: 10.330 HE3 :: 7.163 HZ2 :: 7.311 HZ3 :: 6.575 HH2 :: 7.017 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 :: 121.316 NE1 :: 129.297 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.R24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.62 G 0.37 C Shift Assignments>> C :: 175.831 CA :: 54.755 CB :: 33.735 CG :: 27.224 CD :: 43.962 CZ :: 159.7 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 :: 9.046 HA :: 5.496 HB2 :: 2.241 HB3 :: 2.240 HG2 :: 1.871 HG3 :: 1.516 HD2 :: 3.226 HD3 :: 3.190 HE :: 7.577 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 :: 120.789 NE :: 84.488 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.K25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.24 K 0.21 R 0.16 H 0.15 W 0.11 E 0.09 V 0.01 C Shift Assignments>> C :: 175.648 CA :: 56.071 CB :: 32.214 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 :: 8.526 HA :: 5.081 HB2 :: 1.798 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 :: 126.507 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.68 E 0.31 C Shift Assignments>> C :: 174.894 CA :: 55.271 CB :: 33.781 CG :: 35.961 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 :: 9.125 HA :: 5.275 HB2 :: 2.276 HB3 :: 2.202 HG2 :: 2.551 HG3 :: 2.283 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 :: 126.009 Ave N Shift Values>> N :: 120.67(3.48) 1.L27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.37 G 0.32 L 0.27 A 0.02 C Shift Assignments>> C :: 173.941 CA :: 53.859 CB :: 44.020 CG :: 28.375 CD1 :: 23.835 CD2 :: 26.749 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 :: 8.938 HA :: 5.788 HB2 :: 1.983 HB3 :: 1.242 HG :: 1.659 HD11 :: 1.083 HD12 :: 1.083 HD13 :: 1.083 HD21 :: 0.975 HD22 :: 0.975 HD23 :: 0.975 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 :: 121.930 Ave N Shift Values>> N :: 121.86(3.9) 1.N28 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.68 L 0.18 R 0.06 D 0.05 C Shift Assignments>> C :: 174.366 CA :: 52.063 CB :: 44.430(S) 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 :: 9.345 HA :: 5.411 HB2 :: 2.641 HB3 :: 2.576 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 :: 124.630 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.R29 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.95 G 0.04 C Shift Assignments>> C :: 175.779 CA :: 56.091 CB :: 31.710 CG :: 28.313 CD :: 42.687 CZ :: 159.6 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 :: 9.109 HA :: 5.058 HB2 :: 1.373 HB3 :: 1.193 HG2 :: 1.085 HG3 :: 0.529(S) HD2 :: 2.890 HD3 :: 2.695 HE :: 7.174 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 :: 118.443 NE :: 82.758 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.V30 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.78 V 0.19 C Shift Assignments>> C :: 174.775 CA :: 60.921 CB :: 37.790 CG1 :: 19.452 CG2 :: 23.334 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 :: 9.054 HA :: 4.535 HB :: 1.688 HG11 :: -0.165(S) HG12 :: -0.165(S) HG13 :: -0.165(S) 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 :: 124.605 Ave N Shift Values>> N :: 121.14(4.54) 1.S31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.A20 1.A20 C Shift Assignments>> C :: 174.214 CA :: 56.279 CB :: 64.128 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.667 HA :: 4.652 HB2 :: 3.584 HB3 :: 3.584 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 :: 120.794 Ave N Shift Values>> N :: 116.28(3.52) 1.W32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.99 C Shift Assignments>> C :: 177.276 CA :: 56.198 CB :: 29.968 CD1 :: 126.621 CE2 :: 139.9 CE3 :: 120.952 CZ2 :: 113.795 CZ3 :: 121.798 CH2 :: 124.155 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 :: 9.282 HA :: 5.105 HB2 :: 3.192 HB3 :: 3.127 HD1 :: 7.069 HE1 :: 10.172 HE3 :: 7.640 HZ2 :: 7.215 HZ3 :: 6.789 HH2 :: 6.685 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 :: 132.303 NE1 :: 129.312 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.N33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.4 Y 0.17 F 0.14 D 0.1 E 0.07 M 0.03 L 0.03 I 0.01 C Shift Assignments>> C :: 174.030 CA :: 54.709 CB :: 37.921 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 :: 9.813 HA :: 4.257 HB2 :: 3.252 HB3 :: 2.601 HD21 :: 7.600 HD22 :: 6.946 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 :: 124.979 ND2 :: 112.067 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.D34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.25 Y 0.24 D 0.2 L 0.13 N 0.1 I 0.03 K 0.01 C Shift Assignments>> CA :: 56.130 CB :: 39.760 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 :: 9.251 HA :: 4.126 HB2 :: 2.912 HB3 :: 2.797 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 :: 111.880 Ave N Shift Values>> N :: 120.65(3.86) 1.A35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.94 L 0.02 M 0.02 C Shift Assignments>> C :: 177.778 CA :: 51.528 CB :: 20.445 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.625 HA :: 4.477 HB1 :: 1.748 HB2 :: 1.748 HB3 :: 1.748 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.811 Ave N Shift Values>> N :: 123.23(3.54) 1.E36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.63 K 0.27 I 0.05 M 0.02 R 0.01 C Shift Assignments>> CA :: 55.276 CB :: 28.575 CG :: 35.958 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 :: 8.658 HA :: 4.390 HB2 :: 2.074 HB3 :: 2.041 HG2 :: 2.432 HG3 :: 2.432 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 :: 121.068 Ave N Shift Values>> N :: 120.67(3.48) 1.P37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 175.799 CA :: 63.105 CB :: 32.076 CG :: 28.029 CD :: 50.572 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 :: 4.289 HB2 :: 1.661 HB3 :: 1.554 HG2 :: 2.042 HG3 :: 1.839 HD2 :: 3.831 HD3 :: 3.664 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.K38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.72 K 0.23 G 0.03 C Shift Assignments>> C :: 176.906 CA :: 54.399 CB :: 37.217 CG :: 25.740 CD :: 29.483 CE :: 42.251 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 :: 8.316 HA :: 4.700 HB2 :: 1.659 HB3 :: 2.235 HG2 :: 1.881 HG3 :: 1.513 HD2 :: 1.695 HD3 :: 1.694 HE2 :: 3.051 HE3 :: 3.050 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 :: 120.881 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Y39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 175.834 CA :: 60.228 CB :: 38.683 CD1 :: 131.892 CD2 :: 131.892 CE1 :: 117.669 CE2 :: 117.669 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 :: 8.508 HA :: 4.636 HB2 :: 2.965 HB3 :: 2.459 HD1 :: 6.459 HD2 :: 6.459 HE1 :: 6.330 HE2 :: 6.330 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 :: 119.792 Ave N Shift Values>> N :: 120.52(4.2) 1.D40 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 L 0.19 C Shift Assignments>> C :: 175.283 CA :: 55.053 CB :: 48.656(S) 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 :: 9.219 HA :: 5.597 HB2 :: 2.938 HB3 :: 2.470 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 :: 126.502 Ave N Shift Values>> N :: 120.65(3.86) 1.I41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 174.167 CA :: 60.734 CB :: 40.198 CG1 :: 28.482 CG2 :: 18.210 CD1 :: 12.780 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 :: 8.972 HA :: 5.722 HB :: 1.820 HG12 :: 1.721 HG13 :: 1.032 HG21 :: 0.855 HG22 :: 0.855 HG23 :: 0.855 HD11 :: 0.799 HD12 :: 0.799 HD13 :: 0.799 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 :: 125.910 Ave N Shift Values>> N :: 121.46(4.28) 1.R42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.31 K 0.23 R 0.14 H 0.14 W 0.08 E 0.05 V 0.01 C Shift Assignments>> CA :: 54.826 CB :: 32.665 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 :: 8.320 HA :: 4.716 HB2 :: 2.089 HB3 :: 1.767 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 :: 120.300 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.T43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> T 0.99 C Shift Assignments>> C :: 173.294 CA :: 60.847 CB :: 69.961 CG2 :: 23.450 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>> HA :: 5.585 HB :: 4.229 HG21 :: 1.389 HG22 :: 1.389 HG23 :: 1.389 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) 1.W44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.99 C Shift Assignments>> C :: 175.056 CA :: 56.107 CB :: 34.506 CD1 :: 128.068 CE2 :: 138.6 CE3 :: 119.925 CZ2 :: 113.180 CZ3 :: 123.357 CH2 :: 123.876 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 :: 9.180 HA :: 4.945 HB2 :: 2.618 HB3 :: 2.975 HD1 :: 7.191 HE1 :: 11.360 HE3 :: 7.255 HZ2 :: 7.208 HZ3 :: 6.577 HH2 :: 6.062 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 :: 122.747 NE1 :: 132.587 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.S45 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 56.481 CB :: 60.743 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.879 HA :: 2.300(S) HB2 :: 3.575 HB3 :: 3.579 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 :: 117.385 Ave N Shift Values>> N :: 116.28(3.52) 1.P46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> CA :: 64.990 CB :: 31.272 CG :: 27.488 CD :: 49.795 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 :: 4.104 HB2 :: 2.319 HB3 :: 1.833 HG2 :: 2.082 HG3 :: 2.001 HD2 :: 3.362 HD3 :: 2.936 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.D47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> D 0.35 N 0.3 L 0.15 F 0.09 Y 0.07 K 0.01 C Shift Assignments>> C :: 175.629 CA :: 53.453 CB :: 40.239 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 :: 4.520 HB2 :: 2.671 HB3 :: 3.024 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.H48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.74 H 0.25 C Shift Assignments>> CA :: 60.347 CB :: 25.499 CD2 :: 118.909 CE1 :: 135.109 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 :: 8.269 HA :: 3.916 HB2 :: 3.392 HB3 :: 3.151 HD2 :: 5.689 HE1 :: 8.140 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 :: 111.320 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.E49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.69 M 0.17 I 0.07 K 0.05 C Shift Assignments>> C :: 176.394 CA :: 57.940 CB :: 30.641 CG :: 36.410 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 :: 7.381 HA :: 4.447 HB2 :: 1.885 HB3 :: 2.121 HG2 :: 2.310 HG3 :: 2.144 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 :: 114.659 Ave N Shift Values>> N :: 120.67(3.48) 1.K50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.55 K 0.4 G 0.03 C Shift Assignments>> CA :: 54.431 CB :: 36.543 CG :: 25.474 CD :: 29.600 CE :: 42.273 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 :: 8.067 HA :: 4.665 HB2 :: 1.443 HB3 :: 2.023 HG2 :: 1.513 HG3 :: 1.419 HD2 :: 1.837 HD3 :: 1.837 HE2 :: 3.086 HE3 :: 3.086 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 :: 118.126 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.M51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> M 0.52 A 0.47 C Shift Assignments>> CA :: 54.048 CB :: 33.768 CG :: 30.894 CE :: 17.654 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>> HA :: 4.936 HB2 :: 1.176 HB3 :: 0.970 HG2 :: 2.219 HG3 :: 1.978 HE1 :: 1.685 HE2 :: 1.685 HE3 :: 1.685 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) 1.G52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> R 0.39 L 0.3 D 0.07 K 0.06 F 0.06 G 0.03 Y 0.03 I 0.01 C Shift Assignments>> C :: 173.534 CA :: 43.060 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> HA2 :: 4.682 HA3 :: 3.805 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 1.K53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.75 R 0.23 G 0.01 C Shift Assignments>> C :: 176.818 CA :: 56.478 CB :: 33.117 CG :: 25.242 CD :: 29.084 CE :: 42.152 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 :: 8.132 HA :: 4.155 HB2 :: 1.979 HB3 :: 1.723 HG2 :: 1.523 HG3 :: 1.525 HD2 :: 1.663 HD3 :: 1.663 HE2 :: 2.979 HE3 :: 2.989 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 :: 118.012 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.05 C Shift Assignments>> C :: 170.848 CA :: 46.701 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.079 HA2 :: 4.393 HA3 :: 4.149 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.836 Ave N Shift Values>> N :: 109.67(3.87) 1.I55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.71 A 0.23 I 0.05 C Shift Assignments>> C :: 171.737 CA :: 57.059 CB :: 44.241 CG1 :: 28.709 CG2 :: 18.346 CD1 :: 15.164 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 :: 8.661 HA :: 4.956 HB :: 1.606 HG12 :: 1.790 HG13 :: 1.393 HG21 :: 0.864 HG22 :: 0.864 HG23 :: 0.864 HD11 :: 1.205 HD12 :: 1.205 HD13 :: 1.205 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 :: 119.382 Ave N Shift Values>> N :: 121.46(4.28) 1.T56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 A 0.01 C Shift Assignments>> C :: 174.417 CA :: 59.098 CB :: 72.153 CG2 :: 21.664 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 :: 7.916 HA :: 5.607 HB :: 4.297 HG21 :: 1.458 HG22 :: 1.458 HG23 :: 1.458 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 :: 113.795 Ave N Shift Values>> N :: 115.42(4.75) 1.L57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.77 L 0.22 C Shift Assignments>> C :: 176.150 CA :: 53.264 CB :: 45.901 CG :: 27.545 CD1 :: 25.927 CD2 :: 26.093 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 :: 9.421 HA :: 5.311 HB2 :: 1.914 HB3 :: 1.767 HG :: 1.640 HD11 :: 0.889 HD12 :: 0.889 HD13 :: 0.889 HD21 :: 0.914 HD22 :: 0.914 HD23 :: 0.914 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 :: 121.044 Ave N Shift Values>> N :: 121.86(3.9) 1.S58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.97 T 0.02 C Shift Assignments>> C :: 174.786 CA :: 56.948 CB :: 65.726 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.771 HA :: 4.734 HB2 :: 4.676 HB3 :: 4.203 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 :: 119.548 Ave N Shift Values>> N :: 116.28(3.52) 1.E59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.5 E 0.41 K 0.06 M 0.01 C Shift Assignments>> C :: 179.806 CA :: 60.913 CB :: 29.538 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 :: 9.394 HA :: 4.319 HB2 :: 2.313 HB3 :: 2.288 HG2 :: 2.520 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 :: 120.827 Ave N Shift Values>> N :: 120.67(3.48) 1.E60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.5 E 0.43 K 0.04 M 0.01 C Shift Assignments>> C :: 179.686 CA :: 60.279 CB :: 29.559 CG :: 36.941 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 :: 8.905 HA :: 4.188 HB2 :: 2.188 HB3 :: 2.081 HG2 :: 2.472 HG3 :: 2.411 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 :: 119.587 Ave N Shift Values>> N :: 120.67(3.48) 1.E61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.61 I 0.26 M 0.1 K 0.01 C Shift Assignments>> C :: 178.530 CA :: 59.118 CB :: 30.976 CG :: 37.702 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 :: 8.013 HA :: 4.037 HB2 :: 2.596 HB3 :: 1.767 HG2 :: 2.530 HG3 :: 2.184 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 :: 120.145 Ave N Shift Values>> N :: 120.67(3.48) 1.F62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> C :: 176.783 CA :: 61.827 CB :: 40.216 CD1 :: 131.077 CD2 :: 131.077 CE1 :: 129.973 CE2 :: 129.973 CZ :: 127.974 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 :: 9.192 HA :: 3.927 HB2 :: 2.746 HB3 :: 2.692 HD1 :: 6.606 HD2 :: 6.606 HE1 :: 6.796 HE2 :: 6.796 HZ :: 6.746 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 :: 119.925 Ave N Shift Values>> N :: 120.45(4.18) 1.G63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.91 L 0.05 A 0.01 C Shift Assignments>> C :: 176.854 CA :: 47.178 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.316 HA2 :: 3.692 HA3 :: 3.960 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 104.854 Ave N Shift Values>> N :: 109.67(3.87) 1.V64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 177.644 CA :: 67.090 CB :: 31.367 CG1 :: 22.301 CG2 :: 22.703 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 :: 7.759 HA :: 3.663 HB :: 2.354 HG11 :: 1.101 HG12 :: 1.101 HG13 :: 1.101 HG21 :: 1.230 HG22 :: 1.230 HG23 :: 1.230 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 :: 123.719 Ave N Shift Values>> N :: 121.14(4.54) 1.L65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.9 A 0.04 V 0.03 G 0.01 C Shift Assignments>> C :: 177.636 CA :: 58.552 CB :: 41.358 CG :: 26.495 CD1 :: 21.613 CD2 :: 21.883 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 :: 7.660 HA :: 3.672 HB2 :: 1.861 HB3 :: 1.376 HG :: 1.311 HD11 :: 0.552 HD12 :: 0.552 HD13 :: 0.552 HD21 :: 0.481 HD22 :: 0.481 HD23 :: 0.481 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 :: 120.099 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 0.97 R 0.01 C Shift Assignments>> C :: 179.729 CA :: 58.069 CB :: 41.625 CG :: 26.300 CD1 :: 25.061 CD2 :: 23.717 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 :: 8.083 HA :: 3.556 HB2 :: 1.458 HB3 :: 1.281 HG :: 1.197 HD11 :: 0.584 HD12 :: 0.584 HD13 :: 0.584 HD21 :: 0.471 HD22 :: 0.471 HD23 :: 0.471 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 :: 115.733 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 0.84 R 0.13 G 0.01 C Shift Assignments>> C :: 179.379 CA :: 59.227 CB :: 32.737 CG :: 24.812 CD :: 29.315 CE :: 42.162 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 :: 7.861 HA :: 3.965 HB2 :: 1.948 HB3 :: 1.940 HG2 :: 1.503 HG3 :: 1.404 HD2 :: 1.697 HD3 :: 1.696 HE2 :: 2.989 HE3 :: 2.978 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 :: 119.120 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.62 K 0.2 I 0.1 M 0.06 C Shift Assignments>> CA :: 57.712 CB :: 29.586 CG :: 35.913 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 :: 8.319 HA :: 4.409 HB2 :: 2.099 HB3 :: 1.926 HG2 :: 2.174 HG3 :: 2.091 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 :: 116.924 Ave N Shift Values>> N :: 120.67(3.48) 1.L69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.96 R 0.02 C Shift Assignments>> CA :: 57.563 CB :: 41.373 CG :: 26.461 CD1 :: 25.481 CD2 :: 23.009 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 :: 8.233 HA :: 4.107 HB2 :: 1.285 HB3 :: 1.739 HG :: 1.795 HD11 :: 0.594 HD12 :: 0.594 HD13 :: 0.594 HD21 :: 0.693 HD22 :: 0.693 HD23 :: 0.693 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 :: 120.032 Ave N Shift Values>> N :: 121.86(3.9) 1.G70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.05 C Shift Assignments>> C :: 174.986 CA :: 46.704 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.960 HA2 :: 3.846 HA3 :: 3.809 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.472 Ave N Shift Values>> N :: 109.67(3.87) 1.N71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.41 D 0.18 Y 0.14 F 0.13 L 0.06 E 0.01 M 0.01 I 0.01 C Shift Assignments>> C :: 176.412 CA :: 54.407 CB :: 38.729 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 :: 7.857 HA :: 4.681 HB2 :: 2.903 HB3 :: 2.860 HD21 :: 7.799 HD22 :: 6.915 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 :: 118.596 ND2 :: 112.558 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.76 R 0.21 G 0.01 C Shift Assignments>> CA :: 57.338 CB :: 32.755 CG :: 24.807 CD :: 29.046 CE :: 42.138 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 :: 8.100 HA :: 4.282 HB2 :: 1.885 HB3 :: 1.887 HG2 :: 1.508 HG3 :: 1.507 HD2 :: 1.641 HD3 :: 1.606 HE2 :: 3.014 HE3 :: 3.014 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 :: 119.973 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> L 0.91 R 0.06 A 0.01 G 0.01 C Shift Assignments>> CA :: 55.774 CB :: 41.983 CG :: 26.900 CD1 :: 25.374 CD2 :: 23.742 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>> HA :: 4.281 HB2 :: 1.724 HB3 :: 1.563 HG :: 1.635 HD11 :: 0.846 HD12 :: 0.846 HD13 :: 0.846 HD21 :: 0.819 HD22 :: 0.819 HD23 :: 0.819 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.E74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> E 0.65 K 0.13 M 0.12 I 0.07 C Shift Assignments>> CA :: 57.522 CB :: 30.051 CG :: 36.086 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>> HA :: 4.126 HB2 :: 1.922 HB3 :: 1.923 HG2 :: 2.179 HG3 :: 2.095 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) 2.DT1 Overall Status: Residue type DT not supported. 2.DT2 Overall Status: Residue type DT not supported. 2.DT3 Overall Status: Residue type DT not supported. 2.DT4 Overall Status: Residue type DT not supported. 2.DT5 Overall Status: Residue type DT not supported. 2.DT6 Overall Status: Residue type DT not supported. 2.DT7 Overall Status: Residue type DT not supported. 2.DT8 Overall Status: Residue type DT not supported. 2.DT9 Overall Status: Residue type DT not supported. 2.DT10 Overall Status: Residue type DT not supported. 2.DT11 Overall Status: Residue type DT not supported. 2.DT12 Overall Status: Residue type DT not supported. 2.DT13 Overall Status: Residue type DT not supported. 2.DT14 Overall Status: Residue type DT not supported. ########################################################################### Overall Results: #Consistent: 68 #Clerical: 0 #Suspicious: 5 #Anomalous: 0 #Mistyped: 1 #Indeterminable: 0 Typing Results: #Consistent: 72 #Suspicious: 0 #Mistyped: 1 #Indeterminable: 1 Shift Relative Order (SRO) Results: #Consistent: 74 #Suspicious: 0 C Shift Results: #Consistent: 328 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 0 H Shift Results: #Consistent: 521 #Duplicate: 0 #Unknown: 0 #Suspicious: 8 #Anomalous: 0 N Shift Results: #Consistent: 70 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.I9 HD11 = -0.375(S), Expected = 0.68, Std = 0.2900, ChiSquare = 2.7484e-04 1.I9 HD12 = -0.375(S), Expected = 0.68, Std = 0.2900, ChiSquare = 2.7484e-04 1.I9 HD13 = -0.375(S), Expected = 0.68, Std = 0.2900, ChiSquare = 2.7484e-04 1.N28 CB = 44.430(S), Expected = 38.69, Std = 1.6900, ChiSquare = 6.8266e-04 1.R29 HG3 = 0.529(S), Expected = 1.54, Std = 0.2900, ChiSquare = 4.8992e-04 1.V30 HG11 = -0.165(S), Expected = 0.83, Std = 0.2600, ChiSquare = 1.2976e-04 1.V30 HG12 = -0.165(S), Expected = 0.83, Std = 0.2600, ChiSquare = 1.2976e-04 1.V30 HG13 = -0.165(S), Expected = 0.83, Std = 0.2600, ChiSquare = 1.2976e-04 1.D40 Typing: Mistyped 1.D40 CB = 48.656(S), Expected = 40.88, Std = 1.6200, ChiSquare = 1.5867e-06 1.S45 HA = 2.300(S), Expected = 4.48, Std = 0.4000, ChiSquare = 5.0370e-08