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.Q2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> Q 0.3 K 0.28 C 0.23 R 0.05 M 0.05 E 0.05 C Shift Assignments>> C :: 174.981 CA :: 55.884 CB :: 28.955 CG :: 33.637 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>> HA :: 4.325 HB2 :: 2.003 HB3 :: 2.079 HG2 :: 2.365 HG3 :: 2.377 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) 1.D3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.23 K 0.12 N 0.09 F 0.08 Y 0.06 C 0.05 R 0.02 C Shift Assignments>> C :: 176.098 CA :: 54.084 CB :: 41.363 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 :: 8.602 HA :: 4.646 HB2 :: 2.710 HB3 :: 2.769 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 122.948 Ave N Shift Values>> N :: 120.65(3.86) 1.N4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.54 D 0.17 C 0.09 F 0.06 Y 0.06 L 0.04 C Shift Assignments>> C :: 176.426 CA :: 52.922 CB :: 38.806 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 :: 8.677 HA :: 4.997 HB2 :: 2.970 HB3 :: 2.909 HD21 :: 7.612 HD22 :: 6.904 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 :: 121.982 ND2 :: 112.431 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.S5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.360 CA :: 61.052 CB :: 63.337 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.658 HA :: 4.303 HB2 :: 4.020 HB3 :: 3.998 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 :: 117.911 Ave N Shift Values>> N :: 116.28(3.52) 1.R6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 R 0.34 G 0.1 K 0.02 C Shift Assignments>> C :: 179.942 CA :: 60.426 CB :: 29.354 CG :: 28.022 CD :: 43.354 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 :: 8.698 HA :: 4.237 HB2 :: 1.994 HB3 :: 2.016 HG2 :: 1.758 HG3 :: 1.758 HD2 :: 3.252 HD3 :: 3.312 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 :: 122.785 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.Y7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.61 C 0.38 C Shift Assignments>> C :: 177.107 CA :: 59.078 CB :: 39.037 CD1 :: 133.901 CD2 :: 133.450 CE1 :: 117.107 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 :: 8.560 HA :: 5.112 HB2 :: 3.100 HB3 :: 3.009 HD1 :: 7.435 HD2 :: 7.461 HE1 :: 6.608 HE2 :: 6.608 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 :: 123.896 Ave N Shift Values>> N :: 120.52(4.2) 1.T8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.95 C 0.04 C Shift Assignments>> C :: 177.461 CA :: 66.917 CB :: 67.833 CG2 :: 22.084 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 :: 8.381 HA :: 4.261 HB :: 3.641 HG21 :: 1.257 HG22 :: 1.257 HG23 :: 1.257 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 115.490 Ave N Shift Values>> N :: 115.42(4.75) 1.H9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.37 C 0.35 H 0.26 C Shift Assignments>> C :: 176.317 CA :: 59.011 CB :: 28.471 CD2 :: 119.853 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 :: 8.381 HA :: 4.492 HB2 :: 3.387 HB3 :: 3.346 HD2 :: 7.407 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 :: 120.767 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.F10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.46 F 0.31 C 0.22 C Shift Assignments>> C :: 177.052 CA :: 61.269 CB :: 38.620 CD1 :: 132.893 CD2 :: 131.867 CE1 :: 129.687 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 :: 8.194 HA :: 4.331 HB2 :: 3.126 HB3 :: 3.103 HD1 :: 6.885 HD2 :: 7.133 HE1 :: 6.797 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 :: 122.319 Ave N Shift Values>> N :: 120.45(4.18) 1.L11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.82 A 0.11 L 0.04 C Shift Assignments>> C :: 180.814 CA :: 57.357 CB :: 41.503 CG :: 25.602 CD1 :: 20.563 CD2 :: 20.723 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 :: 8.403 HA :: 3.885 HB2 :: 2.055 HB3 :: 1.469 HG :: 1.432 HD11 :: 0.586 HD12 :: 0.586 HD13 :: 0.586 HD21 :: 0.604 HD22 :: 0.604 HD23 :: 0.604 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 :: 120.078 Ave N Shift Values>> N :: 121.86(3.9) 1.T12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.96 C 0.03 HN Overlap>> 1.S119 1.S119 C Shift Assignments>> C :: 175.989 CA :: 66.337 CB :: 68.641 CG2 :: 22.131 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 :: 8.487 HA :: 3.976 HB :: 4.326 HG21 :: 1.313 HG22 :: 1.313 HG23 :: 1.313 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 :: 117.495 Ave N Shift Values>> N :: 115.42(4.75) 1.Q13 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.27 Q 0.26 K 0.23 E 0.15 M 0.03 R 0.02 I 0.01 C Shift Assignments>> C :: 175.690 CA :: 57.800 CB :: 29.240 CG :: 34.398 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 :: 7.786 HA :: 3.855 HB2 :: 1.195(S) HB3 :: 1.399 HG2 :: 2.122 HG3 :: 2.122 HE21 :: 7.201 HE22 :: 6.878 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 :: 115.947 NE2 :: 112.883 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.H14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.39 W 0.34 C 0.25 C Shift Assignments>> C :: 173.782 CA :: 55.094 CB :: 29.307 CD2 :: 121.678 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 :: 7.920 HA :: 4.750 HB2 :: 2.871 HB3 :: 2.871 HD2 :: 6.722 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 :: 106.871 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.Y15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.55 F 0.22 C 0.21 C Shift Assignments>> C :: 174.409 CA :: 56.477 CB :: 41.836 CD1 :: 132.541 CD2 :: 133.776 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 :: 8.729 HA :: 5.682 HB2 :: 3.361 HB3 :: 2.597 HD1 :: 7.067 HD2 :: 7.063 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 :: 121.284 Ave N Shift Values>> N :: 120.52(4.2) 1.D16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 L 0.25 K 0.12 N 0.09 F 0.06 C 0.04 Y 0.04 R 0.03 C Shift Assignments>> C :: 174.790 CA :: 53.474 CB :: 41.663 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 :: 8.241 HA :: 4.542 HB2 :: 2.303 HB3 :: 2.214 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 :: 128.065 Ave N Shift Values>> N :: 120.65(3.86) 1.A17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.26 M 0.22 C 0.16 V 0.14 L 0.09 T 0.06 I 0.04 C Shift Assignments>> C :: 178.633 CA :: 56.639 CB :: 20.147 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.343 HA :: 3.987 HB1 :: 1.529 HB2 :: 1.529 HB3 :: 1.529 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 129.160 Ave N Shift Values>> N :: 123.23(3.54) 1.K18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.52 C 0.39 R 0.07 C Shift Assignments>> C :: 172.392 CA :: 55.788 CB :: 33.524 CG :: 24.650 CD :: 28.917 CE :: 41.851 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 :: 8.352 HA :: 4.309 HB2 :: 1.761 HB3 :: 1.815 HG2 :: 1.213 HG3 :: 1.266 HD2 :: 1.670 HD3 :: 1.670 HE2 :: 3.012 HE3 :: 3.012 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 :: 116.856 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.55 C 0.44 C Shift Assignments>> C :: 177.598 CA :: 61.934 CB :: 30.761 CG :: 27.738 CD :: 50.999 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 :: 4.530 HB2 :: 1.228 HB3 :: 1.274 HG2 :: 2.312 HG3 :: 2.153 HD2 :: 4.049 HD3 :: 4.194 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.Q20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.31 K 0.28 C 0.23 R 0.06 E 0.06 M 0.03 C Shift Assignments>> C :: 175.662 CA :: 55.884 CB :: 28.684 CG :: 33.855 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 :: 8.170 HA :: 4.120 HB2 :: 1.981 HB3 :: 1.981 HG2 :: 2.362 HG3 :: 2.344 HE21 :: 7.505 HE22 :: 6.909 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 :: 121.248 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.69 L 0.17 R 0.05 C 0.03 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 171.219 CA :: 44.852 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.475 HA2 :: 3.969 HA3 :: 3.617 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.878 Ave N Shift Values>> N :: 109.67(3.87) 1.R22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.38 C 0.24 R 0.2 L 0.13 G 0.02 C Shift Assignments>> C :: 173.673 CA :: 54.142 CB :: 29.252 CG :: 25.378 CD :: 42.608 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.702 HA :: 3.935 HB2 :: 2.083 HB3 :: 1.282 HG2 :: 1.516 HG3 :: 1.516 HD2 :: 3.200 HD3 :: 3.200 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 :: 114.122 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.D23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 D 0.24 R 0.15 G 0.1 C 0.05 K 0.04 N 0.04 F 0.03 Y 0.01 C Shift Assignments>> C :: 176.453 CA :: 51.988 CB :: 42.962 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 :: 7.716 HA :: 4.840 HB2 :: 3.296 HB3 :: 2.652 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 117.955 Ave N Shift Values>> N :: 120.65(3.86) 1.D24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.3 F 0.3 I 0.15 C 0.15 L 0.03 D 0.03 C Shift Assignments>> C :: 178.115 CA :: 58.791 CB :: 39.677 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 :: 8.155 HA :: 4.070 HB2 :: 3.036 HB3 :: 2.718 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 121.580 Ave N Shift Values>> N :: 120.65(3.86) 1.R25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 R 0.43 G 0.06 K 0.03 C Shift Assignments>> C :: 179.424 CA :: 59.105 CB :: 29.606 CG :: 27.286 CD :: 43.334 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.736 HA :: 3.985 HB2 :: 1.893 HB3 :: 1.969 HG2 :: 1.752 HG3 :: 1.790 HD2 :: 3.253 HD3 :: 3.149 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 :: 117.841 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.Y26 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.99 HN Overlap>> 1.V105 1.V105 C Shift Assignments>> C :: 177.052 CA :: 60.820 CB :: 36.810 CD1 :: 133.252 CD2 :: 31.680(A) CE1 :: 117.543 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 :: 7.974 HA :: 4.242 HB2 :: 3.443 HB3 :: 3.074 HD1 :: 6.888 HE1 :: 6.729 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 :: 122.529 Ave N Shift Values>> N :: 120.52(4.2) SRO Rule Breaks>> (CD2 > CA : 1.0000) (CD2 > CB : 1.0000) 1.C27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.27 Y 0.27 I 0.25 C 0.15 L 0.01 C Shift Assignments>> C :: 175.908 CA :: 60.043 CB :: 39.898 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.056 HA :: 3.856 HB2 :: 3.153 HB3 :: 2.294 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 115.854 Ave N Shift Values>> N :: 120.17(4.64) 1.E28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 I 0.32 E 0.21 K 0.01 HN Overlap>> 1.S76 1.S76 C Shift Assignments>> C :: 178.170 CA :: 60.231 CB :: 29.707 CG :: 37.414 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 :: 8.373 HA :: 3.856 HB2 :: 2.197 HB3 :: 2.249 HG2 :: 2.644 HG3 :: 2.713 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 :: 117.550 Ave N Shift Values>> N :: 120.67(3.48) 1.S29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.025 CA :: 60.558 CB :: 63.274 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.629 HA :: 4.278 HB2 :: 3.938 HB3 :: 3.976 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 112.021 Ave N Shift Values>> N :: 116.28(3.52) 1.I30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.71 C 0.28 C Shift Assignments>> C :: 176.589 CA :: 63.201 CB :: 37.143 CG1 :: 29.524 CG2 :: 18.413 CD1 :: 13.886 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 :: 8.773 HA :: 3.792 HB :: 1.884 HG12 :: 0.647 HG13 :: 0.270 HG21 :: 0.601 HG22 :: 0.601 HG23 :: 0.601 HD11 :: 0.184 HD12 :: 0.184 HD13 :: 0.184 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 :: 123.143 Ave N Shift Values>> N :: 121.46(4.28) 1.M31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.73 M 0.21 A 0.03 I 0.01 C Shift Assignments>> C :: 178.306 CA :: 57.985 CB :: 29.072 CG :: 32.679 CE :: 18.517 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 7.834 HA :: 4.154 HB2 :: 1.671 HB3 :: 1.824 HG2 :: 1.933 HG3 :: 2.355 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 119.964 Ave N Shift Values>> N :: 120.09(3.57) 1.R32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.44 G 0.06 K 0.03 C Shift Assignments>> C :: 180.650 CA :: 58.671 CB :: 29.823 CG :: 27.219 CD :: 43.359 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 :: 6.750 HA :: 4.243 HB2 :: 2.006 HB3 :: 1.948 HG2 :: 1.607 HG3 :: 1.595 HD2 :: 3.219 HD3 :: 3.219 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 :: 116.968 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.R33 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.45 R 0.43 G 0.07 K 0.03 C Shift Assignments>> C :: 178.552 CA :: 59.311 CB :: 30.408 CG :: 27.301 CD :: 43.457 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 :: 8.464 HA :: 4.053 HB2 :: 1.905 HB3 :: 1.861 HG2 :: 3.229(S) HG3 :: 3.159(S) HD2 :: 3.316 HD3 :: 3.316 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 :: 121.172 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.R34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.34 C 0.3 K 0.19 R 0.15 C Shift Assignments>> C :: 175.826 CA :: 53.387 CB :: 28.234 CG :: 26.941 CD :: 41.649 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.989 HA :: 4.374 HB2 :: 2.254 HB3 :: 1.783 HG2 :: 1.681 HG3 :: 1.681 HD2 :: 3.515 HD3 :: 3.478 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 :: 113.452 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.G35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 C 0.06 L 0.05 C Shift Assignments>> C :: 176.426 CA :: 46.941 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.637 HA2 :: 4.019 HA3 :: 3.961 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.644 Ave N Shift Values>> N :: 109.67(3.87) 1.L36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.7 C 0.23 A 0.06 C Shift Assignments>> C :: 175.090 CA :: 54.142 CB :: 41.286 CG :: 26.694 CD1 :: 23.342 CD2 :: 23.035 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 :: 8.161 HA :: 4.665 HB2 :: 1.796 HB3 :: 1.661 HG :: 1.394 HD11 :: 0.686 HD12 :: 0.686 HD13 :: 0.686 HD21 :: 0.700 HD22 :: 0.700 HD23 :: 0.700 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 :: 119.657 Ave N Shift Values>> N :: 121.86(3.9) 1.T37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.85 C 0.14 C Shift Assignments>> C :: 173.073 CA :: 60.530 CB :: 68.925 CG2 :: 21.477 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 :: 7.315 HA :: 4.679 HB :: 4.864 HG21 :: 1.034 HG22 :: 1.034 HG23 :: 1.034 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 :: 102.519 Ave N Shift Values>> N :: 115.42(4.75) 1.S38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.610 CA :: 54.606 CB :: 63.621 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.518 HA :: 4.854 HB2 :: 3.691 HB3 :: 3.888 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 :: 115.043 Ave N Shift Values>> N :: 116.28(3.52) 1.P39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.72 C 0.26 C Shift Assignments>> C :: 175.553 CA :: 63.201 CB :: 32.920 CG :: 26.834 CD :: 50.551 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 :: 4.458 HB2 :: 1.659 HB3 :: 1.441 HG2 :: 1.974 HG3 :: 1.974 HD2 :: 3.625 HD3 :: 3.435 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.C40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.21 F 0.18 Y 0.17 N 0.17 C 0.11 L 0.1 I 0.01 C Shift Assignments>> C :: 174.981 CA :: 55.419 CB :: 39.564 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.001 HA :: 4.265 HB2 :: 2.430 HB3 :: 3.147 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 114.478 Ave N Shift Values>> N :: 120.17(4.64) 1.K41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.46 C 0.35 R 0.17 C Shift Assignments>> C :: 177.816 CA :: 55.847 CB :: 33.915 CG :: 25.356 CD :: 29.426 CE :: 42.121 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 :: 7.895 HA :: 4.118 HB2 :: 1.692 HB3 :: 1.767 HG2 :: 1.461 HG3 :: 1.396 HD2 :: 1.823 HD3 :: 1.823 HE2 :: 3.100 HE3 :: 3.193 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 :: 126.917 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.27 Y 0.25 C 0.12 D 0.12 L 0.1 I 0.05 N 0.03 K 0.02 C Shift Assignments>> C :: 175.799 CA :: 57.161 CB :: 40.037 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 :: 8.800 HA :: 4.856 HB2 :: 2.798 HB3 :: 2.744 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 :: 125.671 Ave N Shift Values>> N :: 120.65(3.86) 1.I43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 I 0.48 C Shift Assignments>> C :: 173.100 CA :: 59.426 CB :: 40.418 CG1 :: 29.121 CG2 :: 17.953 CD1 :: 14.441 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.871 HA :: 5.340 HB :: 1.887 HG12 :: 1.409 HG13 :: 0.898 HG21 :: 0.777 HG22 :: 0.777 HG23 :: 0.777 HD11 :: 0.795 HD12 :: 0.795 HD13 :: 0.795 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 117.210 Ave N Shift Values>> N :: 121.46(4.28) 1.N44 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.34 G 0.29 R 0.18 D 0.07 C 0.05 F 0.03 Y 0.01 C Shift Assignments>> C :: 173.209 CA :: 54.490 CB :: 44.299(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 :: 8.425 HA :: 4.630 HB2 :: 2.270 HB3 :: 2.164 HD21 :: 6.934 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 :: 121.578 ND2 :: 113.015 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.T45 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> T 0.9 C 0.09 C Shift Assignments>> C :: 172.119 CA :: 62.518 CB :: 69.241 CG2 :: 19.783 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 :: 8.588 HA :: 4.939 HB :: 3.045(S) HG21 :: 0.122(S) HG22 :: 0.122(S) HG23 :: 0.122(S) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 124.421 Ave N Shift Values>> N :: 115.42(4.75) 1.F46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.24 L 0.2 F 0.15 D 0.11 Y 0.11 R 0.07 C 0.06 I 0.01 C Shift Assignments>> C :: 172.555 CA :: 56.871 CB :: 41.837 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 :: 9.172 HA :: 4.388 HB2 :: 2.851 HB3 :: 2.485 HD1 :: 7.018 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 :: 125.601 Ave N Shift Values>> N :: 120.45(4.18) 1.I47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.59 C 0.4 C Shift Assignments>> C :: 174.245 CA :: 60.239 CB :: 39.974 CG1 :: 26.863 CG2 :: 19.051 CD1 :: 14.198 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 :: 8.968 HA :: 3.848 HB :: 1.580 HG12 :: 1.531 HG13 :: 1.531 HG21 :: 0.657 HG22 :: 0.657 HG23 :: 0.657 HD11 :: 0.584 HD12 :: 0.584 HD13 :: 0.584 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 121.700 Ave N Shift Values>> N :: 121.46(4.28) 1.H48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.47 C 0.37 H 0.14 C Shift Assignments>> C :: 175.608 CA :: 52.399 CB :: 29.823 CD2 :: 127.175 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 :: 8.367 HA :: 5.575 HB2 :: 3.119 HB3 :: 2.985 HD2 :: 6.186 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 :: 124.455 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.G49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.5 L 0.24 R 0.12 C 0.04 F 0.03 D 0.02 Y 0.01 C Shift Assignments>> C :: 173.509 CA :: 44.489 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.590 HA2 :: 4.845 HA3 :: 3.986 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.976 Ave N Shift Values>> N :: 109.67(3.87) 1.N50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.37 D 0.26 L 0.09 F 0.09 Y 0.08 C 0.07 C Shift Assignments>> C :: 176.289 CA :: 53.567 CB :: 39.583 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 :: 9.010 HA :: 4.558 HB2 :: 3.039 HB3 :: 3.039 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 :: 122.042 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 V 0.34 K 0.06 C Shift Assignments>> C :: 178.824 CA :: 59.929 CB :: 34.459 CG :: 22.656 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 9.019 HA :: 4.600 HB2 :: 1.840 HB3 :: 1.862 HG2 :: 0.835 HG3 :: 0.835 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 :: 126.361 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.45 R 0.4 G 0.07 K 0.04 L 0.01 C Shift Assignments>> C :: 179.178 CA :: 59.484 CB :: 29.240 CG :: 27.143 CD :: 43.331 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>> HA :: 4.030 HB2 :: 1.956 HB3 :: 1.891 HG2 :: 1.703 HG3 :: 1.703 HD2 :: 3.151 HD3 :: 3.151 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) 1.S53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.836 CA :: 61.459 CB :: 63.148 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.856 HA :: 4.325 HB2 :: 4.099 HB3 :: 4.154 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.729 Ave N Shift Values>> N :: 116.28(3.52) 1.I54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.79 C 0.2 C Shift Assignments>> C :: 177.707 CA :: 63.782 CB :: 38.057 CG1 :: 28.999 CG2 :: 17.110 CD1 :: 14.805 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.347 HA :: 3.701 HB :: 1.903 HG12 :: 1.830 HG13 :: 1.807 HG21 :: 0.777 HG22 :: 0.777 HG23 :: 0.777 HD11 :: 0.590 HD12 :: 0.590 HD13 :: 0.590 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 121.334 Ave N Shift Values>> N :: 121.46(4.28) 1.K55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 K 0.39 R 0.04 C Shift Assignments>> C :: 178.279 CA :: 60.159 CB :: 30.970 CG :: 24.652 CD :: 29.653 CE :: 41.820 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 :: 7.829 HA :: 3.619 HB2 :: 1.888 HB3 :: 1.825 HG2 :: 1.426 HG3 :: 1.328 HD2 :: 1.690 HD3 :: 1.561 HE2 :: 2.999 HE3 :: 2.791 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 :: 119.099 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.69 M 0.28 C 0.01 C Shift Assignments>> C :: 178.851 CA :: 53.561 CB :: 18.347 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.657 HA :: 4.139 HB1 :: 1.469 HB2 :: 1.469 HB3 :: 1.469 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 116.033 Ave N Shift Values>> N :: 123.23(3.54) 1.I57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.85 C 0.14 C Shift Assignments>> C :: 177.788 CA :: 64.304 CB :: 38.739 CG1 :: 27.665 CG2 :: 17.959 CD1 :: 14.926 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.672 HA :: 3.626 HB :: 1.550 HG12 :: 0.925 HG13 :: 2.338 HG21 :: 0.711 HG22 :: 0.711 HG23 :: 0.711 HD11 :: 0.787 HD12 :: 0.787 HD13 :: 0.787 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 120.524 Ave N Shift Values>> N :: 121.46(4.28) 1.C58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.2 R 0.14 H 0.14 C 0.14 K 0.13 W 0.09 E 0.07 Q 0.06 C Shift Assignments>> C :: 174.109 CA :: 54.838 CB :: 31.794 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.350 HA :: 4.437 HB2 :: 2.648 HB3 :: 2.606 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 116.632 Ave N Shift Values>> N :: 120.17(4.64) 1.E59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 E 0.33 M 0.25 Q 0.03 K 0.01 C Shift Assignments>> C :: 176.180 CA :: 55.419 CB :: 31.513 CG :: 36.220 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 :: 7.476 HA :: 4.412 HB2 :: 2.051 HB3 :: 2.122 HG2 :: 2.224 HG3 :: 2.172 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 :: 119.964 Ave N Shift Values>> N :: 120.67(3.48) 1.N60 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Anomalous N Shifts: Consistent PRTL>> C 0.53 R 0.37 K 0.07 C Shift Assignments>> CA :: 59.452 CB :: 29.255(S) CG :: 27.328(A) 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 :: 8.686 HA :: 3.986 HB2 :: 1.889 HB3 :: 1.957 HD21 :: 3.144(A) HD22 :: 3.144(S) 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 :: 119.521 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) SRO Rule Breaks>> (HD21 > HA : 0.9966) (HD22 > HA : 0.9966) (CG > CA : 1.0000) (CG > CB : 1.0000) 1.K61 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.N62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 N 0.32 L 0.13 F 0.07 C 0.06 Y 0.05 K 0.01 C Shift Assignments>> C :: 175.717 CA :: 52.960 CB :: 40.248 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 :: 7.850 HA :: 4.582 HB2 :: 2.517 HB3 :: 2.468 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 :: 123.526 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.82 L 0.1 C 0.02 R 0.01 F 0.01 C Shift Assignments>> C :: 171.683 CA :: 45.257 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.816 HA2 :: 3.814 HA3 :: 3.917 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.977 Ave N Shift Values>> N :: 109.67(3.87) 1.N64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.66 D 0.14 C 0.08 F 0.03 Y 0.02 L 0.02 C Shift Assignments>> C :: 175.553 CA :: 51.067 CB :: 38.833 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 :: 8.442 HA :: 4.960 HB2 :: 2.693 HB3 :: 2.693 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 :: 119.467 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.P65 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H66 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.R67 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.E68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.34 C 0.34 I 0.14 K 0.09 Q 0.05 C Shift Assignments>> C :: 176.126 CA :: 57.857 CB :: 28.415 CG :: 36.326 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 :: 8.793 HA :: 5.073 HB2 :: 2.062 HB3 :: 2.086 HG2 :: 2.238 HG3 :: 2.205 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 :: 119.865 Ave N Shift Values>> N :: 120.67(3.48) 1.N69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.49 D 0.15 C 0.1 Y 0.08 F 0.08 L 0.04 E 0.01 M 0.01 C Shift Assignments>> C :: 174.654 CA :: 53.541 CB :: 38.551 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 :: 8.595 HA :: 4.659 HB2 :: 2.842 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 :: 118.483 ND2 :: 113.307 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 C 0.3 G 0.07 A 0.02 R 0.01 C Shift Assignments>> C :: 176.862 CA :: 55.996 CB :: 43.198 CG :: 26.328 CD1 :: 22.955 CD2 :: 24.463 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 :: 8.180 HA :: 4.161 HB2 :: 1.787 HB3 :: 1.692 HG :: 1.543 HD11 :: 0.564 HD12 :: 0.564 HD13 :: 0.564 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 :: 120.632 Ave N Shift Values>> N :: 121.86(3.9) 1.R71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 R 0.33 K 0.15 G 0.11 HN Overlap>> 1.E109 1.E109 C Shift Assignments>> C :: 173.509 CA :: 53.831 CB :: 33.837 CG :: 27.528 CD :: 43.210 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 :: 9.361 HA :: 4.907 HB2 :: 1.913 HB3 :: 1.913 HG2 :: 1.492 HG3 :: 1.604 HD2 :: 3.083 HD3 :: 3.083 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 :: 122.504 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.I72 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.545 CA :: 59.198 CB :: 64.924 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.195 HA :: 4.325 HB2 :: 4.108 HB3 :: 4.108 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 :: 123.075 Ave N Shift Values>> N :: 116.28(3.52) 1.K74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.45 K 0.45 R 0.09 C Shift Assignments>> C :: 177.897 CA :: 58.207 CB :: 32.744 CG :: 24.510 CD :: 29.100 CE :: 41.955 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>> HA :: 4.153 HB2 :: 1.765 HB3 :: 1.855 HG2 :: 1.421 HG3 :: 1.421 HD2 :: 1.673 HD3 :: 1.673 HE2 :: 2.979 HE3 :: 2.963 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) 1.S75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.509 CA :: 56.987 CB :: 64.379 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.191 HA :: 4.483 HB2 :: 3.627 HB3 :: 3.737 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 :: 113.106 Ave N Shift Values>> N :: 116.28(3.52) 1.S76 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.E28 1.E28 C Shift Assignments>> C :: 172.310 CA :: 58.202 CB :: 63.610 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.329 HA :: 4.075 HB2 :: 2.187(S) HB3 :: 2.763(S) 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 :: 117.612 Ave N Shift Values>> N :: 116.28(3.52) 1.F77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.43 F 0.41 C 0.14 G 0.01 C Shift Assignments>> C :: 176.317 CA :: 57.103 CB :: 42.305 CD1 :: 132.256 CD2 :: 131.859 CE1 :: 132.125 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 :: 8.551 HA :: 4.628 HB2 :: 3.161 HB3 :: 2.611 HD1 :: 7.342 HD2 :: 7.363 HE1 :: 6.967 HE2 :: 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 :: 120.640 Ave N Shift Values>> N :: 120.45(4.18) 1.Q78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.26 C 0.25 Q 0.23 R 0.18 M 0.04 C Shift Assignments>> C :: 174.872 CA :: 56.348 CB :: 28.103 CG :: 32.790 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 :: 9.324 HA :: 5.017 HB2 :: 2.261 HB3 :: 2.261 HG2 :: 2.613 HG3 :: 2.722 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.658 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.V79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.78 V 0.2 C Shift Assignments>> C :: 174.872 CA :: 58.412 CB :: 36.059 CG1 :: 22.005 CG2 :: 21.603 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 :: 8.613 HA :: 5.290 HB :: 1.620 HG11 :: 0.719 HG12 :: 0.719 HG13 :: 0.719 HG21 :: 0.719 HG22 :: 0.719 HG23 :: 0.719 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 :: 115.216 Ave N Shift Values>> N :: 121.14(4.54) 1.T80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.94 C 0.05 C Shift Assignments>> C :: 173.373 CA :: 64.014 CB :: 69.967 CG2 :: 22.047 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 9.197 HA :: 4.868 HB :: 4.195 HG21 :: 1.175 HG22 :: 1.175 HG23 :: 1.175 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 :: 121.692 Ave N Shift Values>> N :: 115.42(4.75) 1.T81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 HN Overlap>> 1.K83 1.K83 C Shift Assignments>> C :: 172.855 CA :: 62.014 CB :: 69.053 CG2 :: 21.609 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 9.058 HA :: 4.605 HB :: 4.072 HG21 :: 1.179 HG22 :: 1.179 HG23 :: 1.179 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 :: 125.216 Ave N Shift Values>> N :: 115.42(4.75) 1.C82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.59 D 0.16 C 0.08 F 0.05 Y 0.04 L 0.04 C Shift Assignments>> C :: 173.127 CA :: 52.333 CB :: 38.833 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.056 HA :: 5.307 HB2 :: 2.439 HB3 :: 2.847 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 126.965 Ave N Shift Values>> N :: 120.17(4.64) 1.K83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 K 0.35 R 0.26 G 0.01 HN Overlap>> 1.T81 1.T81 C Shift Assignments>> C :: 175.635 CA :: 54.807 CB :: 35.855 CG :: 25.750 CD :: 29.007 CE :: 42.132 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 9.114 HA :: 5.204 HB2 :: 2.022 HB3 :: 1.683 HG2 :: 1.485 HG3 :: 1.350 HD2 :: 1.715 HD3 :: 1.715 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 :: 125.216 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.5 C 0.32 G 0.13 A 0.03 C Shift Assignments>> C :: 176.616 CA :: 56.131 CB :: 43.587 CG :: 25.904 CD1 :: 22.715 CD2 :: 23.033 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 :: 9.141 HA :: 3.845 HB2 :: 1.786 HB3 :: 1.692 HG :: 1.275 HD11 :: 0.559 HD12 :: 0.559 HD13 :: 0.559 HD21 :: 0.573 HD22 :: 0.573 HD23 :: 0.573 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 :: 132.161 Ave N Shift Values>> N :: 121.86(3.9) 1.H85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.17 R 0.15 Q 0.14 W 0.12 C 0.12 E 0.11 K 0.08 M 0.08 HN Overlap>> 1.Q94 1.Q94 C Shift Assignments>> C :: 174.126 CA :: 55.089 CB :: 30.092 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 :: 8.751 HA :: 4.636 HB2 :: 2.583 HB3 :: 2.636 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 125.826 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.G86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.68 L 0.17 R 0.05 C 0.03 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 174.126 CA :: 44.850 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.282 HA2 :: 4.088 HA3 :: 3.573 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.397 Ave N Shift Values>> N :: 109.67(3.87) 1.G87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> C :: 174.245 CA :: 45.625 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.134 HA2 :: 3.920 HA3 :: 3.812 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.387 Ave N Shift Values>> N :: 109.67(3.87) 1.S88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.891 CA :: 54.600 CB :: 63.891 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.003 HA :: 4.851 HB2 :: 3.879 HB3 :: 3.666 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 :: 116.205 Ave N Shift Values>> N :: 116.28(3.52) 1.P89 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.W90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.4 H 0.29 C 0.29 C Shift Assignments>> C :: 173.236 CA :: 53.909 CB :: 29.388 CD1 :: 127.248 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 :: 7.346 HA :: 5.111 HB2 :: 2.945 HB3 :: 3.465 HD1 :: 7.233 HE1 :: 10.193 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 :: 120.031 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.P91 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.81 P 0.17 C Shift Assignments>> C :: 175.853 CA :: 62.272 CB :: 34.016 CG :: 25.052 CD :: 50.594 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 :: 4.464 HB2 :: 2.373 HB3 :: 2.060 HG2 :: 1.931 HG3 :: 2.039 HD2 :: 2.828 HD3 :: 2.828 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.C93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.35 D 0.28 L 0.1 F 0.09 Y 0.08 C 0.07 C Shift Assignments>> C :: 173.809 CA :: 53.561 CB :: 39.717 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.078 HA :: 4.504 HB2 :: 2.930 HB3 :: 2.855 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 124.167 Ave N Shift Values>> N :: 120.17(4.64) 1.Q94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.32 C 0.22 K 0.2 M 0.12 E 0.1 R 0.01 HN Overlap>> 1.H85 1.H85 C Shift Assignments>> C :: 175.799 CA :: 55.013 CB :: 29.903 CG :: 34.168 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 :: 8.821 HA :: 4.637 HB2 :: 1.916 HB3 :: 2.020 HG2 :: 2.240 HG3 :: 2.240 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 :: 125.903 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Y95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.31 R 0.24 L 0.15 C 0.1 F 0.08 Y 0.05 D 0.01 C Shift Assignments>> C :: 176.262 CA :: 58.635 CB :: 44.276 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 :: 8.764 HA :: 4.926 HB2 :: 2.576 HB3 :: 2.440 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 :: 120.254 Ave N Shift Values>> N :: 120.52(4.2) 1.R96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.55 C 0.28 G 0.09 K 0.06 C Shift Assignments>> C :: 176.780 CA :: 52.922 CB :: 31.702 CG :: 26.901 CD :: 43.072 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 :: 9.002 HA :: 4.886 HB2 :: 1.738 HB3 :: 1.822 HG2 :: 1.516 HG3 :: 1.516 HD2 :: 3.083 HD3 :: 3.083 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 :: 118.237 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.A97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.49 L 0.36 C 0.11 K 0.01 C Shift Assignments>> C :: 178.770 CA :: 51.412 CB :: 22.420 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.106 HA :: 5.483 HB1 :: 1.313 HB2 :: 1.313 HB3 :: 1.313 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 129.843 Ave N Shift Values>> N :: 123.23(3.54) 1.T98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 C Shift Assignments>> C :: 174.136 CA :: 62.620 CB :: 71.293 CG2 :: 21.640 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 9.255 HA :: 4.587 HB :: 3.953 HG21 :: 1.274 HG22 :: 1.274 HG23 :: 1.274 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 :: 117.494 Ave N Shift Values>> N :: 115.42(4.75) 1.A99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.93 M 0.03 C 0.01 C Shift Assignments>> C :: 176.698 CA :: 51.354 CB :: 19.791 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.499 HA :: 5.273 HB1 :: 1.496 HB2 :: 1.496 HB3 :: 1.496 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 134.491 Ave N Shift Values>> N :: 123.23(3.54) 1.G100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 L 0.11 C 0.03 R 0.02 F 0.01 C Shift Assignments>> C :: 171.328 CA :: 45.152 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.687 HA2 :: 3.803 HA3 :: 4.574 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.922 Ave N Shift Values>> N :: 109.67(3.87) 1.F101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.64 C 0.27 F 0.07 C Shift Assignments>> C :: 174.872 CA :: 56.116 CB :: 39.945 CD1 :: 128.810 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 :: 8.537 HA :: 5.736 HB2 :: 3.031 HB3 :: 2.993 HD1 :: 7.071 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 :: 122.150 Ave N Shift Values>> N :: 120.45(4.18) 1.R102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.56 C 0.34 R 0.08 C Shift Assignments>> C :: 175.308 CA :: 54.664 CB :: 32.732 CG :: 29.122 CD :: 41.826 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 :: 8.770 HA :: 4.654 HB2 :: 1.791 HB3 :: 2.187 HG2 :: 1.696 HG3 :: 1.696 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 :: 121.109 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.N103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.42 C 0.14 Y 0.11 D 0.11 F 0.1 E 0.03 L 0.03 M 0.02 I 0.01 C Shift Assignments>> C :: 174.054 CA :: 54.200 CB :: 38.143 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 :: 8.290 HA :: 4.666 HB2 :: 2.797 HB3 :: 2.669 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 :: 118.908 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 V 0.44 C Shift Assignments>> C :: 173.373 CA :: 60.123 CB :: 34.354 CG1 :: 21.577 CG2 :: 19.833 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 :: 8.436 HA :: 4.507 HB :: 1.854 HG11 :: 0.830 HG12 :: 0.830 HG13 :: 0.830 HG21 :: 0.830 HG22 :: 0.830 HG23 :: 0.830 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 :: 113.132 Ave N Shift Values>> N :: 121.14(4.54) 1.V105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.5 C 0.49 HN Overlap>> 1.Y26 1.Y26 C Shift Assignments>> C :: 176.262 CA :: 60.994 CB :: 32.904 CG1 :: 23.218 CG2 :: 20.906 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 :: 7.867 HA :: 5.151 HB :: 1.959 HG11 :: 0.879 HG12 :: 0.879 HG13 :: 0.879 HG21 :: 0.929 HG22 :: 0.929 HG23 :: 0.929 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 :: 122.543 Ave N Shift Values>> N :: 121.14(4.54) 1.V106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.86 V 0.07 A 0.05 HN Overlap>> 1.C108 1.C108 C Shift Assignments>> C :: 174.027 CA :: 57.857 CB :: 35.548 CG1 :: 19.059 CG2 :: 21.707 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 :: 8.988 HA :: 5.358 HB :: 2.021 HG11 :: 0.576 HG12 :: 0.576 HG13 :: 0.576 HG21 :: 0.717 HG22 :: 0.717 HG23 :: 0.717 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.192 Ave N Shift Values>> N :: 121.14(4.54) 1.A107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.83 L 0.09 C 0.06 C Shift Assignments>> C :: 176.971 CA :: 50.607 CB :: 21.470 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.347 HA :: 4.965 HB1 :: 1.379 HB2 :: 1.379 HB3 :: 1.379 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.941 Ave N Shift Values>> N :: 123.23(3.54) 1.C108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.74 L 0.15 C 0.08 HN Overlap>> 1.V106 1.V106 C Shift Assignments>> C :: 174.136 CA :: 55.187 CB :: 46.627 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.932 HA :: 5.449 HB2 :: 3.057 HG :: 2.643 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 120.206 Ave N Shift Values>> N :: 120.17(4.64) 1.E109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 M 0.25 E 0.18 Q 0.01 HN Overlap>> 1.R71 1.R71 C Shift Assignments>> C :: 176.235 CA :: 56.016 CB :: 33.295 CG :: 36.278 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 :: 9.276 HA :: 4.393 HB2 :: 1.771 HB3 :: 1.678 HG2 :: 2.145 HG3 :: 2.094 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.493 Ave N Shift Values>> N :: 120.67(3.48) 1.N110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.39 C 0.17 Y 0.11 F 0.08 E 0.08 D 0.06 M 0.04 L 0.01 I 0.01 C Shift Assignments>> C :: 174.518 CA :: 54.245 CB :: 37.575 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 :: 9.583 HA :: 4.327 HB2 :: 2.633 HB3 :: 2.769 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 :: 126.121 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.77 L 0.12 C 0.03 R 0.02 F 0.01 C Shift Assignments>> C :: 172.719 CA :: 45.082 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.778 HA2 :: 3.976 HA3 :: 3.393 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 102.631 Ave N Shift Values>> N :: 109.67(3.87) 1.L112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.65 G 0.17 C 0.11 L 0.05 C Shift Assignments>> C :: 173.891 CA :: 50.541 CB :: 42.672 CG :: 24.753 CD1 :: 22.084 CD2 :: 21.477 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 :: 7.450 HA :: 4.669 HB2 :: 1.486 HB3 :: 0.757 HG :: 1.319 HD11 :: 0.212 HD12 :: 0.212 HD13 :: 0.212 HD21 :: 0.170 HD22 :: 0.170 HD23 :: 0.170 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 :: 118.298 Ave N Shift Values>> N :: 121.86(3.9) 1.P113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.52 C 0.47 C Shift Assignments>> C :: 175.226 CA :: 61.878 CB :: 30.506 CG :: 27.609 CD :: 50.955 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 :: 4.529 HB2 :: 2.571 HB3 :: 1.946 HG2 :: 1.671 HG3 :: 1.671 HD2 :: 3.819 HD3 :: 3.746 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.V114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.87 V 0.11 C Shift Assignments>> C :: 176.262 CA :: 60.117 CB :: 34.354 CG1 :: 22.593 CG2 :: 17.598 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 :: 8.259 HA :: 4.585 HB :: 2.224 HG11 :: 0.826 HG12 :: 0.826 HG13 :: 0.826 HG21 :: 0.599 HG22 :: 0.599 HG23 :: 0.599 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 :: 107.070 Ave N Shift Values>> N :: 121.14(4.54) 1.H115 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> H 0.16 R 0.16 C 0.12 W 0.12 E 0.11 Q 0.11 M 0.11 K 0.07 C Shift Assignments>> C :: 172.528 CA :: 55.538 CB :: 30.782 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 :: 7.381 HA :: 4.146 HB2 :: 1.912(S) HB3 :: 1.912 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 :: 118.745 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.L116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.68 C 0.18 G 0.07 A 0.03 R 0.02 C Shift Assignments>> C :: 174.736 CA :: 54.019 CB :: 43.150 CG :: 26.547 CD1 :: 24.787 CD2 :: 23.395 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 :: 8.806 HA :: 4.657 HB2 :: 0.907 HB3 :: 0.616 HG :: 1.345 HD11 :: 1.178 HD12 :: 1.178 HD13 :: 1.178 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) N Shift Assignments>> N :: 127.994 Ave N Shift Values>> N :: 121.86(3.9) 1.D117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 N 0.27 L 0.13 F 0.09 Y 0.08 C 0.06 K 0.01 C Shift Assignments>> C :: 175.853 CA :: 53.735 CB :: 40.147 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 :: 7.992 HA :: 4.566 HB2 :: 3.147 HB3 :: 2.337 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 :: 124.133 Ave N Shift Values>> N :: 120.65(3.86) 1.Q118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.27 C 0.25 Q 0.2 K 0.18 M 0.05 I 0.01 C Shift Assignments>> C :: 177.816 CA :: 56.361 CB :: 29.447 CG :: 35.231 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 :: 8.620 HA :: 4.246 HB2 :: 2.152 HB3 :: 2.094 HG2 :: 2.559 HG3 :: 2.559 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 :: 125.765 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.S119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.T12 1.T12 C Shift Assignments>> C :: 176.916 CA :: 61.807 CB :: 62.580 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.561 HA :: 4.047 HB2 :: 3.898 HB3 :: 3.898 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 :: 117.525 Ave N Shift Values>> N :: 116.28(3.52) 1.I120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.77 V 0.11 I 0.1 C Shift Assignments>> C :: 176.044 CA :: 62.485 CB :: 36.580 CG1 :: 22.448 CG2 :: 18.080 CD1 :: 13.834 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 :: 6.806 HA :: 3.896 HB :: 1.615 HG12 :: 1.078 HG13 :: 1.078 HG21 :: 0.591 HG22 :: 0.591 HG23 :: 0.591 HD11 :: 0.542 HD12 :: 0.542 HD13 :: 0.542 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 116.152 Ave N Shift Values>> N :: 121.46(4.28) 1.F121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.3 F 0.29 C 0.15 I 0.1 D 0.05 L 0.05 N 0.01 C Shift Assignments>> C :: 175.112 CA :: 57.915 CB :: 39.491 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 :: 7.269 HA :: 4.588 HB2 :: 3.535 HB3 :: 2.424 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 :: 118.026 Ave N Shift Values>> N :: 120.45(4.18) 1.R122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.4 K 0.09 G 0.05 C Shift Assignments>> C :: 175.645 CA :: 57.161 CB :: 30.471 CG :: 27.806 CD :: 43.321 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.409 HA :: 4.129 HB2 :: 1.891 HB3 :: 1.833 HG2 :: 1.605 HG3 :: 1.692 HD2 :: 3.197 HD3 :: 3.133 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 :: 119.277 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.R123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.5 C 0.26 L 0.14 R 0.06 G 0.01 C Shift Assignments>> C :: 173.155 CA :: 53.503 CB :: 29.332 CG :: 24.572 CD :: 42.223 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.873 HA :: 4.616 HB2 :: 1.797 HB3 :: 1.902 HG2 :: 1.418 HG3 :: 1.616 HD2 :: 2.809 HD3 :: 2.761 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 :: 121.524 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.P124 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable ########################################################################### Overall Results: #Consistent: 116 #Clerical: 0 #Suspicious: 6 #Anomalous: 0 #Mistyped: 2 #Indeterminable: 0 Typing Results: #Consistent: 113 #Suspicious: 0 #Mistyped: 2 #Indeterminable: 9 Shift Relative Order (SRO) Results: #Consistent: 122 #Suspicious: 2 C Shift Results: #Consistent: 465 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 2 H Shift Results: #Consistent: 702 #Duplicate: 0 #Unknown: 0 #Suspicious: 11 #Anomalous: 1 N Shift Results: #Consistent: 112 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.Q13 HB2 = 1.195(S), Expected = 2.05, Std = 0.2500, ChiSquare = 6.2621e-04 1.Y26 Typing: Mistyped 1.Y26 CD2 = 31.680(A), Expected = 132.73, Std = 1.3000, ChiSquare = 0.0000e+00 1.Y26 SRO Rule Break>> CD2 > CA : 1 1.Y26 SRO Rule Break>> CD2 > CB : 1 1.R33 HG2 = 3.229(S), Expected = 1.57, Std = 0.2700, ChiSquare = 8.0244e-10 1.R33 HG3 = 3.159(S), Expected = 1.54, Std = 0.2900, ChiSquare = 2.3673e-08 1.N44 CB = 44.299(S), Expected = 38.69, Std = 1.6900, ChiSquare = 9.0361e-04 1.T45 HB = 3.045(S), Expected = 4.17, Std = 0.3300, ChiSquare = 6.5180e-04 1.T45 HG21 = 0.122(S), Expected = 1.14, Std = 0.2300, ChiSquare = 9.5958e-06 1.T45 HG22 = 0.122(S), Expected = 1.14, Std = 0.2300, ChiSquare = 9.5958e-06 1.T45 HG23 = 0.122(S), Expected = 1.14, Std = 0.2300, ChiSquare = 9.5958e-06 1.N60 Typing: Mistyped 1.N60 CB = 29.255(S), Expected = 38.69, Std = 1.6900, ChiSquare = 2.3662e-08 1.N60 CG = 27.328(A), Expected = 176.76, Std = 1.3800, ChiSquare = 0.0000e+00 1.N60 HD21 = 3.144(A), Expected = 7.35, Std = 0.4800, ChiSquare = 1.9097e-18 1.N60 HD22 = 3.144(S), Expected = 7.14, Std = 0.4900, ChiSquare = 3.4889e-16 1.N60 SRO Rule Break>> HD21 > HA : 0.996566944580677 1.N60 SRO Rule Break>> HD22 > HA : 0.996558505408063 1.N60 SRO Rule Break>> CG > CA : 1 1.N60 SRO Rule Break>> CG > CB : 1 1.S76 HB2 = 2.187(S), Expected = 3.88, Std = 0.2500, ChiSquare = 1.2701e-11 1.S76 HB3 = 2.763(S), Expected = 3.85, Std = 0.2700, ChiSquare = 5.6752e-05 1.H115 HB2 = 1.912(S), Expected = 3.10, Std = 0.3600, ChiSquare = 9.6685e-04