Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 175.093 CA :: 59.531 CB :: 64.624 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 4.126 HB2 :: 3.551 HB3 :: 3.497 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) 1.D3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.25 K 0.22 D 0.2 F 0.12 Y 0.09 R 0.05 N 0.02 HN Overlap>> 1.V84 1.V84 C Shift Assignments>> C :: 176.828 CA :: 55.734 CB :: 41.652 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 :: 8.259 HA :: 4.221 HB2 :: 2.365 HB3 :: 2.270 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 :: 122.762 Ave N Shift Values>> N :: 120.65(3.86) 1.E4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.69 M 0.19 I 0.07 K 0.01 Q 0.01 C Shift Assignments>> C :: 177.086 CA :: 57.663 CB :: 31.113 CG :: 37.198 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 :: 7.903 HA :: 3.908 HB2 :: 1.698 HB3 :: 1.581 HG2 :: 1.885 HG3 :: 1.885 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 :: 120.650 Ave N Shift Values>> N :: 120.67(3.48) 1.E5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.69 M 0.2 I 0.05 K 0.02 Q 0.01 HN Overlap>> 1.A89 1.A89 C Shift Assignments>> C :: 177.071 CA :: 57.262 CB :: 30.971 CG :: 37.024 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.928 HA :: 3.975 HB2 :: 1.704 HB3 :: 1.582 HG2 :: 1.928 HG3 :: 1.870 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 :: 122.540 Ave N Shift Values>> N :: 120.67(3.48) 1.V6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 176.350 CA :: 63.062 CB :: 33.812 CG1 :: 22.138 CG2 :: 21.198 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 :: 7.764 HA :: 3.813 HB :: 1.768 HG11 :: 0.611 HG12 :: 0.611 HG13 :: 0.611 HG21 :: 0.600 HG22 :: 0.600 HG23 :: 0.600 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 :: 121.405 Ave N Shift Values>> N :: 121.14(4.54) 1.D7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.26 D 0.24 K 0.2 F 0.1 Y 0.07 R 0.06 N 0.03 C Shift Assignments>> C :: 176.333 CA :: 55.174 CB :: 41.742 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 :: 8.100 HA :: 4.313 HB2 :: 2.386 HB3 :: 2.333 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 :: 124.244 Ave N Shift Values>> N :: 120.65(3.86) 1.S8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 174.203 CA :: 59.176 CB :: 65.217 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.639 HA :: 4.165 HB2 :: 3.384 HB3 :: 3.427 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 :: 116.601 Ave N Shift Values>> N :: 116.28(3.52) 1.V9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.98 I 0.01 C Shift Assignments>> C :: 174.814 CA :: 60.705 CB :: 35.670 CG1 :: 19.935 CG2 :: 22.498 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 :: 9.131 HA :: 4.338 HB :: 1.879 HG11 :: 0.676 HG12 :: 0.676 HG13 :: 0.676 HG21 :: 0.711 HG22 :: 0.711 HG23 :: 0.711 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 :: 121.062 Ave N Shift Values>> N :: 121.14(4.54) 1.L10 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.64 R 0.28 A 0.03 G 0.02 C Shift Assignments>> C :: 178.431 CA :: 55.427 CB :: 42.529 CG :: 27.258 CD1 :: 26.858 CD2 :: 23.046 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 :: 7.893 HA :: 3.203 HB2 :: 1.147 HB3 :: 0.355 HG :: 0.495 HD11 :: 0.328 HD12 :: 0.328 HD13 :: 0.328 HD21 :: -0.250(S) HD22 :: -0.250(S) HD23 :: -0.250(S) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 124.302 Ave N Shift Values>> N :: 121.86(3.9) 1.F11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.83 F 0.16 C Shift Assignments>> C :: 176.851 CA :: 55.655 CB :: 38.679 CD1 :: 129.217 CE1 :: 132.452 CZ :: 130.859 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 :: 8.882 HA :: 4.621 HB2 :: 2.534 HB3 :: 2.774 HD1 :: 6.417 HD2 :: 6.417 HE1 :: 6.797 HE2 :: 6.797 HZ :: 7.221 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 :: 127.860 Ave N Shift Values>> N :: 120.45(4.18) 1.G12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.83 L 0.11 R 0.02 F 0.01 C Shift Assignments>> C :: 171.068 CA :: 45.175 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 6.798 HA2 :: 4.256 HA3 :: 3.427 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 104.199 Ave N Shift Values>> N :: 109.67(3.87) 1.S13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.91 S 0.08 C Shift Assignments>> C :: 172.447 CA :: 57.818 CB :: 68.081 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.549 HA :: 5.411 HB2 :: 3.370 HB3 :: 3.262 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 :: 115.297 Ave N Shift Values>> N :: 116.28(3.52) 1.L14 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.64 G 0.33 A 0.02 C Shift Assignments>> C :: 175.148 CA :: 55.184 CB :: 48.558(S) CG :: 27.254 CD1 :: 25.466 CD2 :: 25.466 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 :: 8.639 HA :: 4.331 HB2 :: 1.116 HB3 :: 1.419 HG :: 0.321(S) HD11 :: 0.547 HD12 :: 0.547 HD13 :: 0.547 HD21 :: 0.547 HD22 :: 0.547 HD23 :: 0.547 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 :: 120.987 Ave N Shift Values>> N :: 121.86(3.9) 1.R15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.65 G 0.2 K 0.14 C Shift Assignments>> C :: 176.367 CA :: 55.677 CB :: 31.562 CG :: 28.312 CD :: 43.778 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 :: 8.292 HA :: 4.725 HB2 :: 1.612 HB3 :: 1.501 HG2 :: 1.220 HG3 :: 1.175 HD2 :: 2.880 HD3 :: 2.851 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 :: 125.240 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.G16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.08 C Shift Assignments>> C :: 172.428 CA :: 45.515 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.494 HA2 :: 4.265 HA3 :: 3.052 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.438 Ave N Shift Values>> N :: 109.67(3.87) 1.H17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.51 W 0.42 Y 0.06 HN Overlap>> 1.A48 1.A48 C Shift Assignments>> C :: 174.269 CA :: 57.852 CB :: 35.686 CD2 :: 120.962 CE1 :: 138.851 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 6.753 HA :: 4.952 HB2 :: 2.592 HB3 :: 2.332 HD2 :: 6.734 HE1 :: 7.641 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 :: 117.462 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.V18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.755 CA :: 62.359 CB :: 33.174 CG1 :: 22.507 CG2 :: 24.062 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 :: 9.273 HA :: 4.068 HB :: 1.791 HG11 :: 0.472 HG12 :: 0.472 HG13 :: 0.472 HG21 :: 0.495 HG22 :: 0.495 HG23 :: 0.495 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 :: 123.965 Ave N Shift Values>> N :: 121.14(4.54) 1.V19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.92 I 0.06 C Shift Assignments>> C :: 176.170 CA :: 60.130 CB :: 35.833 CG1 :: 22.685 CG2 :: 19.224 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 :: 9.179 HA :: 4.957 HB :: 2.355 HG11 :: 0.755 HG12 :: 0.755 HG13 :: 0.755 HG21 :: 0.788 HG22 :: 0.788 HG23 :: 0.788 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 :: 119.894 Ave N Shift Values>> N :: 121.14(4.54) 1.G20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.84 L 0.04 P 0.04 A 0.03 N 0.01 C Shift Assignments>> C :: 178.028 CA :: 47.548 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.098 HA2 :: 4.194 HA3 :: 3.775 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.760 Ave N Shift Values>> N :: 109.67(3.87) 1.L21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 R 0.4 K 0.07 G 0.01 C Shift Assignments>> C :: 180.503 CA :: 58.152 CB :: 41.916 CG :: 27.927 CD1 :: 27.089 CD2 :: 24.940 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 6.689 HA :: 4.093 HB2 :: 1.205 HB3 :: 1.205 HG :: 1.268 HD11 :: 0.322 HD12 :: 0.322 HD13 :: 0.322 HD21 :: 0.385 HD22 :: 0.385 HD23 :: 0.385 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 :: 115.540 Ave N Shift Values>> N :: 121.86(3.9) 1.R22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.68 R 0.29 C Shift Assignments>> C :: 177.608 CA :: 58.199 CB :: 30.014 CD :: 44.761 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 :: 8.228 HA :: 3.724 HB2 :: 0.964 HB3 :: 1.166 HD2 :: 2.442 HD3 :: 2.408 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 :: 114.914 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.Y23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.35 F 0.26 I 0.22 E 0.09 M 0.01 D 0.01 L 0.01 C Shift Assignments>> C :: 176.718 CA :: 58.643 CB :: 38.008 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 :: 7.288 HA :: 3.806 HB2 :: 2.245 HB3 :: 2.245 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 :: 119.445 Ave N Shift Values>> N :: 120.52(4.2) 1.Y24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.11 W 0.1 K 0.1 R 0.09 F 0.08 Y 0.08 H 0.08 Q 0.08 M 0.06 S 0.05 L 0.04 D 0.02 I 0.01 HN Overlap>> 1.D45 1.D45 C Shift Assignments>> C :: 176.434 CA :: 57.321 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 :: 6.951 HA :: 3.764 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 117.846 Ave N Shift Values>> N :: 120.52(4.2) 1.T25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 176.804 CA :: 61.881 CB :: 70.826 CG2 :: 22.462 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 :: 8.320 HA :: 4.325 HB :: 4.172 HG21 :: 0.823 HG22 :: 0.823 HG23 :: 0.823 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 :: 108.221 Ave N Shift Values>> N :: 115.42(4.75) 1.G26 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 :: 173.563 CA :: 47.042 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.546 HA2 :: 3.602 HA3 :: 2.781 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.525 Ave N Shift Values>> N :: 109.67(3.87) 1.V27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 176.547 CA :: 61.862 CB :: 35.323 CG1 :: 22.198 CG2 :: 21.056 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 :: 7.699 HA :: 4.120 HB :: 1.651 HG11 :: 0.525 HG12 :: 0.525 HG13 :: 0.525 HG21 :: 0.576 HG22 :: 0.576 HG23 :: 0.576 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 :: 122.994 Ave N Shift Values>> N :: 121.14(4.54) 1.V28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 173.937 CA :: 61.287 CB :: 36.457 CG1 :: 22.769 CG2 :: 22.780 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 :: 8.381 HA :: 4.035 HB :: 1.535 HG11 :: 0.588 HG12 :: 0.588 HG13 :: 0.588 HG21 :: 0.518 HG22 :: 0.518 HG23 :: 0.518 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 :: 123.943 Ave N Shift Values>> N :: 121.14(4.54) 1.N29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.36 L 0.27 N 0.11 K 0.09 R 0.06 F 0.04 Y 0.02 G 0.01 C Shift Assignments>> C :: 174.289 CA :: 52.210 CB :: 42.017 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 :: 7.579 HA :: 4.503 HB2 :: 2.348 HB3 :: 2.060 HD21 :: 6.484 HD22 :: 7.685 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 :: 121.925 ND2 :: 116.589 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.N30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.25 F 0.24 N 0.17 D 0.17 L 0.08 I 0.03 E 0.01 C Shift Assignments>> C :: 176.975 CA :: 55.854 CB :: 39.058 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 :: 8.044 HA :: 3.764 HB2 :: 2.245 HB3 :: 2.232 HD21 :: 6.623 HD22 :: 7.192 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 117.334 ND2 :: 112.127 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.N31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.27 F 0.22 N 0.2 D 0.11 E 0.05 L 0.04 I 0.04 M 0.02 C Shift Assignments>> C :: 174.186 CA :: 55.877 CB :: 38.373 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 :: 8.700 HA :: 3.832 HB2 :: 2.690 HB3 :: 2.473 HD21 :: 6.400 HD22 :: 7.192 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 117.402 ND2 :: 112.656 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.57 E 0.37 K 0.03 I 0.02 C Shift Assignments>> C :: 175.742 CA :: 56.892 CB :: 33.591 CG :: 38.769 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 :: 7.208 HA :: 4.043 HB2 :: 1.800 HB3 :: 1.617 HG2 :: 2.145 HG3 :: 1.913 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 :: 120.047 Ave N Shift Values>> N :: 120.67(3.48) 1.M33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.82 A 0.16 C Shift Assignments>> C :: 175.862 CA :: 56.579 CB :: 34.491 CG :: 32.854 CE :: 17.829 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 :: 7.833 HA :: 4.623 HB2 :: 1.713 HB3 :: 1.750 HG2 :: 2.279 HG3 :: 2.323 HE1 :: 1.714 HE2 :: 1.714 HE3 :: 1.714 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 121.925 Ave N Shift Values>> N :: 120.09(3.57) 1.V34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.91 I 0.06 A 0.01 C Shift Assignments>> C :: 174.554 CA :: 59.793 CB :: 34.861 CG1 :: 23.433 CG2 :: 19.369 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 :: 7.376 HA :: 4.234 HB :: 1.791 HG11 :: 0.340 HG12 :: 0.340 HG13 :: 0.340 HG21 :: 0.062 HG22 :: 0.062 HG23 :: 0.062 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 :: 112.593 Ave N Shift Values>> N :: 121.14(4.54) 1.A35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.5 A 0.45 K 0.03 C Shift Assignments>> C :: 176.398 CA :: 51.346 CB :: 22.694 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.563 HA :: 4.387 HB1 :: 0.862 HB2 :: 0.862 HB3 :: 0.862 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.051 Ave N Shift Values>> N :: 123.23(3.54) 1.L36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.57 L 0.31 G 0.09 C Shift Assignments>> C :: 177.393 CA :: 54.473 CB :: 43.099 CG :: 29.023 CD1 :: 25.860 CD2 :: 25.733 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.099 HA :: 4.693 HB2 :: 1.355 HB3 :: 0.740 HG :: 1.184 HD11 :: 0.307 HD12 :: 0.307 HD13 :: 0.307 HD21 :: 0.294 HD22 :: 0.294 HD23 :: 0.294 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 :: 122.957 Ave N Shift Values>> N :: 121.86(3.9) 1.Q37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.81 Q 0.12 E 0.06 C Shift Assignments>> C :: 175.754 CA :: 55.027 CB :: 33.823 CG :: 34.219 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 :: 8.481 HA :: 4.346 HB2 :: 1.516 HB3 :: 1.271 HG2 :: 2.002 HG3 :: 1.825 HE21 :: 7.145 HE22 :: 6.474 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 :: 124.356 NE2 :: 112.394 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.R38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.18 H 0.18 E 0.18 R 0.14 Q 0.11 K 0.05 M 0.03 I 0.02 V 0.02 P 0.02 C Shift Assignments>> C :: 176.865 CB :: 30.118 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 :: 9.126 HB2 :: 1.055 HB3 :: 1.055 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 :: 130.058 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.D39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 D 0.24 G 0.16 R 0.16 N 0.03 K 0.03 F 0.02 Y 0.01 C Shift Assignments>> CA :: 51.634 CB :: 43.067 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 :: 7.849 HA :: 4.905 HB2 :: 1.966 HB3 :: 2.607 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.223 Ave N Shift Values>> N :: 120.65(3.86) 1.P40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.163 CA :: 64.267 CB :: 33.170 CG :: 27.801 CD :: 51.302 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 :: 4.580 HB2 :: 2.040 HB3 :: 1.701 HG2 :: 1.627 HG3 :: 1.561 HD2 :: 3.549 HD3 :: 2.992 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.N41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.41 D 0.3 L 0.1 F 0.08 Y 0.07 C Shift Assignments>> C :: 174.993 CA :: 53.268 CB :: 39.729 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 :: 7.533 HA :: 4.423 HB2 :: 2.593 HB3 :: 2.331 HD21 :: 7.392 HD22 :: 6.657 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 116.051 ND2 :: 114.844 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.N42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.35 N 0.27 L 0.16 F 0.09 Y 0.08 K 0.02 C Shift Assignments>> CA :: 53.694 CB :: 40.290 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 :: 7.049 HA :: 4.282 HB2 :: 2.379 HB3 :: 2.841 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 :: 124.991 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.P43 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 176.978 CA :: 64.718 CB :: 32.272 CG :: 27.470 CD :: 51.584 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 :: 3.696 HB2 :: 0.761(S) HB3 :: 0.743(S) HG2 :: 1.438 HG3 :: 1.029 HD2 :: 3.578 HD3 :: 3.096 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.Y44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.38 W 0.32 H 0.29 C Shift Assignments>> C :: 174.598 CA :: 59.369 CD1 :: 132.981 CE1 :: 119.000 CE2 :: 118.984 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 :: 7.751 HA :: 3.678 HD1 :: 6.257 HD2 :: 6.257 HE1 :: 6.315 HE2 :: 6.413 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 :: 118.306 Ave N Shift Values>> N :: 120.52(4.2) 1.D45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.34 R 0.28 D 0.14 K 0.06 F 0.05 G 0.05 Y 0.03 HN Overlap>> 1.Y24 1.Y24 C Shift Assignments>> C :: 175.834 CA :: 54.708 CB :: 43.243 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 :: 6.983 HA :: 4.138 HB2 :: 2.446 HB3 :: 2.129 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 :: 117.952 Ave N Shift Values>> N :: 120.65(3.86) 1.K46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.61 R 0.3 G 0.08 C Shift Assignments>> C :: 177.970 CA :: 59.112 CB :: 32.352 CG :: 24.832 CD :: 30.114 CE :: 42.985 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 :: 8.447 HA :: 3.937 HB2 :: 1.580 HB3 :: 1.580 HG2 :: 1.183 HG3 :: 1.027 HD2 :: 1.364 HD3 :: 1.364 HE2 :: 2.678 HE3 :: 2.678 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 127.667 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.4 D 0.24 F 0.12 Y 0.11 L 0.08 C Shift Assignments>> C :: 173.242 CA :: 54.056 CB :: 39.228 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 :: 7.969 HA :: 4.036 HB2 :: 2.679 HB3 :: 2.442 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 :: 119.085 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.65 L 0.22 M 0.06 V 0.03 T 0.01 HN Overlap>> 1.H17 1.H17 C Shift Assignments>> C :: 179.561 CA :: 54.621 CB :: 20.858 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 6.765 HA :: 3.363 HB1 :: 1.327 HB2 :: 1.327 HB3 :: 1.327 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 117.557 Ave N Shift Values>> N :: 123.23(3.54) 1.I49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.52 V 0.42 I 0.04 C Shift Assignments>> C :: 176.033 CA :: 62.712 CB :: 42.933 CG1 :: 29.512 CG2 :: 19.729 CD1 :: 18.053 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 :: 8.960 HA :: 3.990 HB :: 1.139 HG12 :: 1.972 HG13 :: 1.972 HG21 :: 0.359 HG22 :: 0.359 HG23 :: 0.359 HD11 :: 0.480 HD12 :: 0.480 HD13 :: 0.480 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 :: 125.202 Ave N Shift Values>> N :: 121.46(4.28) 1.K50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.87 G 0.1 R 0.01 C Shift Assignments>> C :: 175.721 CA :: 57.477 CB :: 35.213 CD :: 30.696 CE :: 42.522 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 :: 8.922 HA :: 3.830 HB2 :: 1.470 HB3 :: 1.137 HD2 :: 1.224 HD3 :: 1.367 HE2 :: 2.542 HE3 :: 2.542 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 127.219 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 174.474 CA :: 61.907 CB :: 33.340 CG1 :: 21.856 CG2 :: 21.289 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 :: 7.367 HA :: 4.167 HB :: 0.988 HG11 :: 0.331 HG12 :: 0.331 HG13 :: 0.331 HG21 :: 0.225 HG22 :: 0.225 HG23 :: 0.225 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 :: 120.682 Ave N Shift Values>> N :: 121.14(4.54) 1.N52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.37 L 0.26 N 0.11 K 0.07 R 0.06 F 0.03 G 0.03 Y 0.02 C Shift Assignments>> C :: 175.438 CA :: 51.447 CB :: 42.176 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 :: 8.976 HA :: 5.067 HB2 :: 2.168 HB3 :: 1.960 HD21 :: 7.022 HD22 :: 5.654 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 :: 127.102 ND2 :: 109.926 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.N53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.46 D 0.32 L 0.1 F 0.05 Y 0.04 C Shift Assignments>> C :: 178.535 CA :: 51.890 CB :: 40.066 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 :: 8.267 HA :: 4.557 HB2 :: 2.206 HB3 :: 3.532 HD21 :: 8.048 HD22 :: 6.802 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 :: 118.120 ND2 :: 112.729 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 176.647 CA :: 65.693 CB :: 32.632 CG1 :: 21.731 CG2 :: 20.632 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 :: 8.824 HA :: 3.507 HB :: 1.911 HG11 :: 0.650 HG12 :: 0.650 HG13 :: 0.650 HG21 :: 0.633 HG22 :: 0.633 HG23 :: 0.633 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.079 Ave N Shift Values>> N :: 121.14(4.54) 1.N55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 N 0.25 L 0.15 F 0.11 Y 0.1 K 0.01 C Shift Assignments>> C :: 175.860 CA :: 54.096 CB :: 40.157 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 :: 7.123 HA :: 4.491 HB2 :: 2.637 HB3 :: 2.279 HD21 :: 7.189 HD22 :: 6.597 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 117.821 ND2 :: 113.738 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.91 L 0.07 C Shift Assignments>> C :: 174.046 CA :: 46.057 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.863 HA2 :: 3.916 HA3 :: 3.144 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.037 Ave N Shift Values>> N :: 109.67(3.87) 1.N57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.37 N 0.26 L 0.17 F 0.08 Y 0.06 K 0.03 C Shift Assignments>> C :: 175.413 CA :: 53.288 CB :: 40.537 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 :: 7.655 HA :: 4.460 HB2 :: 2.428 HB3 :: 2.206 HD21 :: 6.703 HD22 :: 7.180 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 :: 119.975 ND2 :: 112.651 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Q58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.15 Y 0.12 F 0.12 W 0.1 E 0.07 K 0.06 I 0.06 R 0.05 H 0.04 Q 0.04 V 0.04 T 0.03 M 0.03 L 0.01 HN Overlap>> 1.M99 1.M99 C Shift Assignments>> CA :: 59.045 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 :: 8.647 HA :: 4.363 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 :: 127.427 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.V59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.313 CA :: 63.058 CB :: 34.992 CG1 :: 21.921 CG2 :: 21.955 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 :: 9.161 HA :: 3.602 HB :: 1.224 HG11 :: 0.416 HG12 :: 0.416 HG13 :: 0.416 HG21 :: 0.315 HG22 :: 0.315 HG23 :: 0.315 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 125.994 Ave N Shift Values>> N :: 121.14(4.54) 1.G60 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 :: 173.723 CA :: 46.757 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 6.531 HA2 :: 3.789 HA3 :: 3.762 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 101.730 Ave N Shift Values>> N :: 109.67(3.87) 1.H61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.13 F 0.12 W 0.11 S 0.1 E 0.09 K 0.07 R 0.07 H 0.06 Q 0.06 M 0.04 L 0.03 I 0.02 V 0.01 T 0.01 D 0.01 C Shift Assignments>> C :: 175.436 CA :: 58.178 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 :: 8.963 HA :: 5.074 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 :: 124.376 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.L62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 G 0.26 R 0.16 C Shift Assignments>> C :: 177.495 CA :: 57.028 CB :: 44.145 CG :: 27.543 CD1 :: 25.783 CD2 :: 24.539 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 :: 8.279 HA :: 3.909 HB2 :: 1.040 HB3 :: 1.087 HG :: 0.930 HD11 :: -0.037 HD12 :: -0.037 HD13 :: -0.037 HD21 :: -0.176 HD22 :: -0.176 HD23 :: -0.176 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 :: 120.378 Ave N Shift Values>> N :: 121.86(3.9) 1.K63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.84 K 0.08 G 0.07 C Shift Assignments>> C :: 178.789 CA :: 58.613 CB :: 35.116 CG :: 26.204 CD :: 31.223 CE :: 42.920 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 :: 7.685 HA :: 3.914 HB2 :: 1.516 HB3 :: 1.536 HG2 :: 1.491 HG3 :: 1.615 HD2 :: 1.573 HD3 :: 1.495 HE2 :: 2.822 HE3 :: 2.793 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 123.557 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.46 R 0.3 K 0.23 C Shift Assignments>> C :: 179.326 CA :: 62.209 CB :: 33.079 CG :: 25.095 CD :: 30.691 CE :: 43.191 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 :: 9.468 HA :: 3.657 HB2 :: 1.834 HB3 :: 1.561 HG2 :: 1.291 HG3 :: 1.099 HD2 :: 1.576 HD3 :: 1.464 HE2 :: 2.766 HE3 :: 2.694 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 :: 128.476 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.94 E 0.05 C Shift Assignments>> C :: 179.932 CA :: 61.860 CB :: 29.477 CG :: 38.254 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 :: 9.551 HA :: 3.893 HB2 :: 1.989 HB3 :: 1.934 HG2 :: 2.381 HG3 :: 2.147 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 :: 122.393 Ave N Shift Values>> N :: 120.67(3.48) 1.L66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.88 G 0.06 R 0.04 C Shift Assignments>> C :: 179.472 CA :: 57.489 CB :: 42.851 CG :: 27.712 CD1 :: 24.090 CD2 :: 24.090 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 :: 7.015 HA :: 3.844 HB2 :: 1.461 HB3 :: 1.369 HG :: 0.522 HD11 :: 0.111 HD12 :: 0.111 HD13 :: 0.111 HD21 :: 0.111 HD22 :: 0.111 HD23 :: 0.111 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 :: 120.477 Ave N Shift Values>> N :: 121.86(3.9) 1.A67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.64 I 0.16 A 0.15 V 0.02 HN Overlap>> 1.I81 1.I81 C Shift Assignments>> C :: 179.124 CA :: 56.879 CB :: 18.362 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.201 HA :: 3.564 HB1 :: 1.143 HB2 :: 1.143 HB3 :: 1.143 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.891 Ave N Shift Values>> N :: 123.23(3.54) 1.G68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 P 0.07 A 0.05 L 0.04 N 0.01 C Shift Assignments>> C :: 175.438 CA :: 47.671 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.854 HA2 :: 3.393 HA3 :: 3.309 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 102.696 Ave N Shift Values>> N :: 109.67(3.87) 1.A69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.63 L 0.31 M 0.02 V 0.01 C Shift Assignments>> C :: 179.097 CA :: 53.800 CB :: 21.370 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 6.701 HA :: 3.348 HB1 :: 1.022 HB2 :: 1.022 HB3 :: 1.022 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.773 Ave N Shift Values>> N :: 123.23(3.54) 1.L70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.66 L 0.18 G 0.14 C Shift Assignments>> C :: 179.731 CA :: 57.911 CB :: 43.376 CG :: 29.162 CD1 :: 25.797 CD2 :: 25.698 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 :: 7.741 HA :: 3.681 HB2 :: 1.127 HB3 :: 0.985 HG :: 1.390 HD11 :: 0.396 HD12 :: 0.396 HD13 :: 0.396 HD21 :: 0.419 HD22 :: 0.419 HD23 :: 0.419 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 :: 115.525 Ave N Shift Values>> N :: 121.86(3.9) 1.A71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.51 I 0.45 A 0.01 V 0.01 C Shift Assignments>> C :: 178.915 CA :: 58.474 CB :: 17.308 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.666 HA :: 3.387 HB1 :: 1.162 HB2 :: 1.162 HB3 :: 1.162 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.179 Ave N Shift Values>> N :: 123.23(3.54) 1.Y72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 179.279 CA :: 62.437 CB :: 41.237 CD1 :: 133.614 CE1 :: 119.344 CE2 :: 119.384 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 :: 7.822 HA :: 3.803 HB2 :: 2.295 HB3 :: 2.973 HD1 :: 6.522 HD2 :: 6.522 HE1 :: 6.464 HE2 :: 6.408 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 117.234 Ave N Shift Values>> N :: 120.52(4.2) 1.I73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 177.565 CA :: 65.746 CB :: 39.341 CG1 :: 30.924 CG2 :: 19.597 CD1 :: 15.244 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 :: 6.696 HA :: 3.221 HB :: 1.968 HG12 :: 0.910 HG13 :: 1.651 HG21 :: 0.709 HG22 :: 0.709 HG23 :: 0.709 HD11 :: 0.736 HD12 :: 0.736 HD13 :: 0.736 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 :: 118.380 Ave N Shift Values>> N :: 121.46(4.28) 1.M74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.43 M 0.39 V 0.17 C Shift Assignments>> C :: 180.893 CA :: 60.502 CB :: 34.528 CE :: 17.795 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 :: 7.862 HA :: 3.928 HB2 :: 1.494 HB3 :: 2.076 HE1 :: 1.671 HE2 :: 1.671 HE3 :: 1.671 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 118.703 Ave N Shift Values>> N :: 120.09(3.57) 1.D75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.34 Y 0.32 I 0.11 L 0.09 D 0.07 K 0.03 N 0.01 HN Overlap>> 1.D113 1.D113 C Shift Assignments>> C :: 177.954 CA :: 58.129 CB :: 40.213 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 :: 8.968 HA :: 4.016 HB2 :: 2.288 HB3 :: 2.193 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 :: 122.615 Ave N Shift Values>> N :: 120.65(3.86) 1.N76 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> N 0.33 D 0.28 F 0.13 Y 0.12 L 0.11 C Shift Assignments>> C :: 172.804 CA :: 54.247 CB :: 39.537 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 :: 6.849 HA :: 4.351 HB2 :: 1.714(S) HB3 :: 2.297 HD21 :: 5.986 HD22 :: 6.524 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 114.172 ND2 :: 117.116 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.68 K 0.22 G 0.08 C Shift Assignments>> C :: 176.948 CA :: 58.040 CB :: 30.136 CG :: 25.915 CD :: 29.887 CE :: 43.174 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 :: 7.463 HA :: 3.631 HB2 :: 1.420 HB3 :: 1.345 HG2 :: 1.045 HG3 :: 1.045 HD2 :: 1.602 HD3 :: 1.602 HE2 :: 2.701 HE3 :: 2.701 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 117.419 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.62 L 0.23 R 0.13 A 0.01 C Shift Assignments>> C :: 177.440 CA :: 57.029 CB :: 44.981 CG :: 28.059 CD1 :: 26.868 CD2 :: 22.828 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 :: 8.116 HA :: 3.884 HB2 :: 1.318 HB3 :: 1.210 HG :: 1.085 HD11 :: 0.545 HD12 :: 0.545 HD13 :: 0.545 HD21 :: 0.478 HD22 :: 0.478 HD23 :: 0.478 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 116.593 Ave N Shift Values>> N :: 121.86(3.9) 1.A79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.71 A 0.17 K 0.09 C Shift Assignments>> C :: 176.112 CA :: 51.890 CB :: 23.340 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 6.982 HA :: 4.557 HB1 :: 1.078 HB2 :: 1.078 HB3 :: 1.078 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 116.236 Ave N Shift Values>> N :: 123.23(3.54) 1.Q80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.35 E 0.31 Q 0.25 K 0.06 C Shift Assignments>> C :: 175.330 CA :: 56.078 CB :: 31.076 CG :: 34.965 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 :: 9.289 HA :: 4.191 HB2 :: 1.713 HB3 :: 1.581 HG2 :: 1.983 HG3 :: 1.937 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 :: 122.244 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I81 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.A67 1.A67 C Shift Assignments>> C :: 176.132 CA :: 61.091 CB :: 40.510 CG1 :: 27.429 CG2 :: 18.640 CD1 :: 15.479 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 :: 8.240 HA :: 4.383 HB :: 1.088 HG12 :: 0.927 HG13 :: -0.170(S) HG21 :: -0.190(S) HG22 :: -0.190(S) HG23 :: -0.190(S) HD11 :: 0.295 HD12 :: 0.295 HD13 :: 0.295 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 :: 124.973 Ave N Shift Values>> N :: 121.46(4.28) 1.E82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.58 E 0.4 C Shift Assignments>> C :: 176.384 CA :: 55.043 CB :: 33.251 CG :: 37.110 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 :: 8.538 HA :: 4.469 HB2 :: 1.745 HB3 :: 1.745 HG2 :: 1.894 HG3 :: 1.788 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 :: 127.913 Ave N Shift Values>> N :: 120.67(3.48) 1.G83 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.88 L 0.08 C Shift Assignments>> C :: 171.699 CA :: 45.523 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.803 HA2 :: 4.892 HA3 :: 2.657(S) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.885 Ave N Shift Values>> N :: 109.67(3.87) 1.V84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.96 L 0.02 HN Overlap>> 1.D3 1.D3 C Shift Assignments>> C :: 174.774 CA :: 60.842 CB :: 37.539 CG1 :: 22.484 CG2 :: 21.612 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 :: 8.225 HA :: 4.463 HB :: 1.539 HG11 :: 0.466 HG12 :: 0.466 HG13 :: 0.466 HG21 :: 0.408 HG22 :: 0.408 HG23 :: 0.408 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 :: 122.744 Ave N Shift Values>> N :: 121.14(4.54) 1.V85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.48 V 0.47 L 0.02 C Shift Assignments>> CA :: 60.269 CG1 :: 21.651 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 :: 7.808 HA :: 4.271 HG11 :: 0.596 HG12 :: 0.596 HG13 :: 0.596 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 :: 129.125 Ave N Shift Values>> N :: 121.14(4.54) 1.P86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 176.182 CA :: 64.837 CB :: 32.871 CD :: 50.637 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 :: 4.008 HB2 :: 1.573 HB3 :: 1.466 HD2 :: 3.282 HD3 :: 3.282 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.F87 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 174.692 CA :: 57.046 CB :: 40.074 CD1 :: 132.527 CD2 :: 132.384 CE1 :: 130.813 CZ :: 121.774(S) 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 :: 6.982 HA :: 4.207 HB2 :: 2.976 HB3 :: 2.703 HD1 :: 6.796 HD2 :: 6.988 HE1 :: 6.975 HE2 :: 6.975 HZ :: 7.134 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 115.036 Ave N Shift Values>> N :: 120.45(4.18) 1.G88 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 :: 175.500 CA :: 46.754 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.167 HA2 :: 3.523 HA3 :: 3.523 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.777 Ave N Shift Values>> N :: 109.67(3.87) 1.A89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.72 M 0.22 L 0.02 V 0.01 HN Overlap>> 1.E5 1.E5 C Shift Assignments>> C :: 177.927 CA :: 54.538 CB :: 19.549 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.964 HA :: 3.848 HB1 :: 0.911 HB2 :: 0.911 HB3 :: 0.911 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.476 Ave N Shift Values>> N :: 123.23(3.54) 1.N90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.45 D 0.25 F 0.1 Y 0.09 L 0.08 C Shift Assignments>> CA :: 53.645 CB :: 39.253 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 :: 7.875 HA :: 4.403 HB2 :: 2.505 HB3 :: 2.505 HD21 :: 7.287 HD22 :: 6.643 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 114.886 ND2 :: 113.760 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.N91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> D 0.33 N 0.22 L 0.16 F 0.12 Y 0.1 K 0.02 C Shift Assignments>> C :: 175.073 CA :: 54.351 CB :: 40.211 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> HA :: 4.141 HB2 :: 2.737 HB3 :: 2.560 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) 1.A92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.8 L 0.09 M 0.07 V 0.01 C Shift Assignments>> CA :: 53.958 CB :: 20.471 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.813 HA :: 3.698 HB1 :: 0.584 HB2 :: 0.584 HB3 :: 0.584 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.416 Ave N Shift Values>> N :: 123.23(3.54) 1.F93 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent C Shift Assignments>> C :: 176.888 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 :: 8.156 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 :: 113.848 Ave N Shift Values>> N :: 120.45(4.18) 1.T94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 172.741 CA :: 60.879 CB :: 72.988 CG2 :: 22.628 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 :: 7.719 HA :: 4.949 HB :: 3.853 HG21 :: 0.918 HG22 :: 0.918 HG23 :: 0.918 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 :: 113.826 Ave N Shift Values>> N :: 115.42(4.75) 1.M95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.78 M 0.2 C Shift Assignments>> CA :: 53.833 CB :: 37.444 CG :: 31.428 CE :: 18.200 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.613 HA :: 4.852 HB2 :: 1.671 HB3 :: 1.671 HG2 :: 2.131 HG3 :: 2.099 HE1 :: 1.580 HE2 :: 1.580 HE3 :: 1.580 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 122.671 Ave N Shift Values>> N :: 120.09(3.57) 1.P96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 174.407 CA :: 63.503 CB :: 33.635 CG :: 28.173 CD :: 51.523 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 :: 4.276 HB2 :: 1.172 HB3 :: 1.784 HG2 :: 1.664 HG3 :: 1.679 HD2 :: 3.475 HD3 :: 3.316 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.L97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.9 L 0.09 C Shift Assignments>> C :: 175.133 CA :: 54.247 CB :: 47.207 CG :: 28.625 CD1 :: 27.184 CD2 :: 25.981 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 :: 7.397 HA :: 4.351 HB2 :: 0.871 HB3 :: 0.848 HG :: 0.821 HD11 :: 0.276 HD12 :: 0.276 HD13 :: 0.276 HD21 :: 0.232 HD22 :: 0.232 HD23 :: 0.232 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 117.538 Ave N Shift Values>> N :: 121.86(3.9) 1.H98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.5 H 0.48 C Shift Assignments>> C :: 175.760 CA :: 56.560 CB :: 33.073 CE1 :: 139.548 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 :: 8.998 HA :: 4.694 HB2 :: 2.872 HB3 :: 2.443 HE1 :: 7.389 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 :: 128.508 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.M99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.8 M 0.19 HN Overlap>> 1.Q58 1.Q58 C Shift Assignments>> C :: 175.328 CA :: 55.118 CB :: 37.716 CG :: 33.534 CE :: 18.456 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.580 HA :: 5.093 HB2 :: 1.202 HB3 :: 1.222 HG2 :: 1.775 HG3 :: 1.637 HE1 :: 1.403 HE2 :: 1.403 HE3 :: 1.403 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 :: 127.436 Ave N Shift Values>> N :: 120.09(3.57) 1.T100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 172.973 CA :: 61.965 CB :: 71.472 CG2 :: 23.577 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 :: 8.559 HA :: 4.429 HB :: 3.550 HG21 :: 0.616 HG22 :: 0.616 HG23 :: 0.616 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 :: 117.301 Ave N Shift Values>> N :: 115.42(4.75) 1.F101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.53 Y 0.34 G 0.11 C Shift Assignments>> C :: 174.288 CA :: 57.294 CB :: 43.344 CD1 :: 131.773 CZ :: 129.413 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 :: 8.060 HA :: 4.766 HB2 :: 2.734 HB3 :: 2.227 HD1 :: 6.655 HD2 :: 6.655 HZ :: 6.582 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 123.448 Ave N Shift Values>> N :: 120.45(4.18) 1.W102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.99 C Shift Assignments>> C :: 175.894 CA :: 55.836 CB :: 33.650 CD1 :: 127.322 CZ3 :: 123.079 CH2 :: 125.341 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.698 HA :: 4.738 HB2 :: 2.459 HB3 :: 2.652 HD1 :: 6.471 HE1 :: 9.733 HZ3 :: 6.662 HH2 :: 6.832 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 :: 124.653 NE1 :: 130.146 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.G103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.04 A 0.02 P 0.02 C Shift Assignments>> C :: 172.041 CA :: 47.419 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.048 HA2 :: 3.865 HA3 :: 3.685 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.923 Ave N Shift Values>> N :: 109.67(3.87) 1.K104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.61 K 0.32 G 0.06 C Shift Assignments>> C :: 179.247 CA :: 55.955 CB :: 34.499 CG :: 25.843 CD :: 30.119 CE :: 43.026 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 :: 8.800 HA :: 4.394 HB2 :: 1.425 HB3 :: 1.837 HG2 :: 1.270 HG3 :: 1.270 HD2 :: 1.397 HD3 :: 1.397 HE2 :: 2.700 HE3 :: 2.700 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 :: 121.062 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.52 I 0.29 M 0.07 Q 0.05 K 0.05 C Shift Assignments>> C :: 179.001 CA :: 61.070 CB :: 30.548 CG :: 35.862 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 :: 9.102 HA :: 3.717 HB2 :: 1.982 HB3 :: 1.695 HG2 :: 2.153 HG3 :: 1.948 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 :: 126.187 Ave N Shift Values>> N :: 120.67(3.48) 1.E106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.57 I 0.29 K 0.06 M 0.03 Q 0.02 C Shift Assignments>> C :: 177.466 CA :: 59.628 CB :: 29.873 CG :: 36.612 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 :: 9.044 HA :: 3.931 HB2 :: 1.802 HB3 :: 1.733 HG2 :: 1.883 HG3 :: 1.883 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 :: 116.055 Ave N Shift Values>> N :: 120.67(3.48) 1.N107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.35 L 0.23 N 0.13 K 0.1 F 0.08 Y 0.06 R 0.01 C Shift Assignments>> C :: 174.775 CA :: 53.834 CB :: 41.210 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 :: 8.037 HA :: 4.853 HB2 :: 2.784 HB3 :: 2.960 HD21 :: 7.037 HD22 :: 8.153 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 117.948 ND2 :: 114.482 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.R108 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.79 R 0.19 C Shift Assignments>> C :: 178.940 CA :: 61.329 CB :: 32.128 CG :: 27.935 CD :: 44.485 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 :: 7.436 HA :: 1.918(S) HB2 :: 1.289 HB3 :: 1.289 HG2 :: 0.722 HG3 :: 0.533(S) HD2 :: 2.990 HD3 :: 2.655 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 :: 123.906 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) SRO Rule Breaks>> (HA > HD2 : 0.9912) 1.K109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.52 K 0.34 G 0.12 C Shift Assignments>> C :: 178.112 CA :: 60.312 CB :: 32.515 CG :: 25.792 CD :: 29.967 CE :: 43.167 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 :: 8.278 HA :: 3.551 HB2 :: 1.480 HB3 :: 1.403 HG2 :: 1.020 HG3 :: 1.020 HD2 :: 1.369 HD3 :: 1.275 HE2 :: 2.684 HE3 :: 2.684 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 :: 120.781 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.47 M 0.38 V 0.04 I 0.04 L 0.03 T 0.01 C Shift Assignments>> C :: 182.254 CA :: 55.852 CB :: 19.487 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.859 HA :: 3.809 HB1 :: 1.216 HB2 :: 1.216 HB3 :: 1.216 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.124 Ave N Shift Values>> N :: 123.23(3.54) 1.V111 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.97 I 0.02 C Shift Assignments>> C :: 177.413 CA :: 68.182 CB :: 32.292 CG1 :: 21.825 CG2 :: 26.982(S) 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 :: 7.398 HA :: 3.020 HB :: 1.518 HG11 :: 0.312 HG12 :: 0.312 HG13 :: 0.312 HG21 :: 0.756 HG22 :: 0.756 HG23 :: 0.756 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.838 Ave N Shift Values>> N :: 121.14(4.54) 1.S112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 178.174 CA :: 63.528 CB :: 63.560 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.779 HA :: 3.496 HB2 :: 3.542 HB3 :: 3.542 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 :: 115.829 Ave N Shift Values>> N :: 116.28(3.52) 1.D113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.3 Y 0.26 K 0.13 L 0.12 D 0.07 I 0.07 HN Overlap>> 1.D75 1.D75 C Shift Assignments>> C :: 179.375 CA :: 58.132 CB :: 40.859 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 :: 9.017 HA :: 4.019 HB2 :: 2.206 HB3 :: 2.444 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 :: 122.670 Ave N Shift Values>> N :: 120.65(3.86) 1.Q114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.36 R 0.29 K 0.23 I 0.04 E 0.03 M 0.01 P 0.01 C Shift Assignments>> C :: 178.071 CA :: 58.967 CB :: 27.153 CG :: 33.429 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 :: 7.302 HA :: 3.923 HB2 :: 1.717 HB3 :: 1.857 HG2 :: 2.248 HG3 :: 2.062 HE21 :: 7.381 HE22 :: 6.687 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 :: 121.761 NE2 :: 116.130 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L115 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.98 C Shift Assignments>> C :: 180.415 CA :: 59.320 CB :: 41.482 CG :: 27.208 CD1 :: 23.796 CD2 :: 23.796 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 :: 7.538 HA :: 3.736 HB2 :: 1.007 HB3 :: 1.386 HG :: -0.074(S) HD11 :: 0.157 HD12 :: 0.157 HD13 :: 0.157 HD21 :: 0.157 HD22 :: 0.157 HD23 :: 0.157 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 :: 118.179 Ave N Shift Values>> N :: 121.86(3.9) 1.K116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.54 K 0.35 G 0.1 C Shift Assignments>> C :: 181.055 CA :: 60.597 CB :: 33.268 CG :: 25.759 CD :: 30.411 CE :: 42.907 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 :: 8.152 HA :: 3.897 HB2 :: 1.721 HB3 :: 1.612 HG2 :: 1.203 HG3 :: 1.114 HD2 :: 1.368 HD3 :: 1.368 HE2 :: 2.624 HE3 :: 2.624 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 :: 122.514 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.51 K 0.41 G 0.06 C Shift Assignments>> C :: 177.367 CA :: 59.720 CB :: 33.089 CG :: 25.664 CD :: 30.376 CE :: 42.847 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 :: 7.533 HA :: 3.663 HB2 :: 1.565 HB3 :: 1.459 HG2 :: 1.022 HG3 :: 0.854 HD2 :: 1.223 HD3 :: 1.223 HE2 :: 2.510 HE3 :: 2.510 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 :: 121.120 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.H118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.48 H 0.45 F 0.03 Y 0.02 C Shift Assignments>> C :: 174.455 CA :: 56.973 CB :: 33.773 CE1 :: 139.596 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 :: 7.025 HA :: 4.148 HB2 :: 3.361 HB3 :: 2.628 HE1 :: 7.353 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 :: 116.553 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.G119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.06 C Shift Assignments>> C :: 174.404 CA :: 46.457 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.468 HA2 :: 3.583 HA3 :: 3.324 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.260 Ave N Shift Values>> N :: 109.67(3.87) 1.F120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.47 Y 0.45 G 0.07 C Shift Assignments>> C :: 174.629 CA :: 57.856 CB :: 43.055 CD1 :: 132.563 CE1 :: 130.469 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 :: 7.679 HA :: 4.536 HB2 :: 2.268 HB3 :: 2.617 HD1 :: 7.012 HD2 :: 7.012 HE1 :: 6.772 HE2 :: 6.772 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 :: 120.379 Ave N Shift Values>> N :: 120.45(4.18) 1.K121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.46 K 0.44 G 0.09 C Shift Assignments>> CA :: 56.560 CB :: 35.705 CG :: 24.751 CD :: 30.150 CE :: 42.955 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>> H :: 8.039 HA :: 4.063 HB2 :: 1.487 HB3 :: 1.376 HG2 :: 1.056 HG3 :: 1.016 HD2 :: 1.297 HD3 :: 1.297 HE2 :: 2.639 HE3 :: 2.639 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 :: 121.417 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.73 G 0.16 R 0.1 C Shift Assignments>> CA :: 55.897 CB :: 43.657 CG :: 26.844 CD1 :: 25.449 CD2 :: 25.449 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 :: 7.595 HA :: 4.322 HB2 :: 1.221 HB3 :: 1.132 HG :: 0.434 HD11 :: 0.338 HD12 :: 0.338 HD13 :: 0.338 HD21 :: 0.338 HD22 :: 0.338 HD23 :: 0.338 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 :: 129.186 Ave N Shift Values>> N :: 121.86(3.9) ########################################################################### Overall Results: #Consistent: 112 #Clerical: 0 #Suspicious: 10 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 120 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 2 Shift Relative Order (SRO) Results: #Consistent: 121 #Suspicious: 1 C Shift Results: #Consistent: 484 #Duplicate: 0 #Unknown: 0 #Suspicious: 3 #Anomalous: 0 H Shift Results: #Consistent: 793 #Duplicate: 0 #Unknown: 0 #Suspicious: 15 #Anomalous: 0 N Shift Results: #Consistent: 129 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.L10 HD21 = -0.250(S), Expected = 0.73, Std = 0.2900, ChiSquare = 7.2668e-04 1.L10 HD22 = -0.250(S), Expected = 0.73, Std = 0.2900, ChiSquare = 7.2668e-04 1.L10 HD23 = -0.250(S), Expected = 0.73, Std = 0.2900, ChiSquare = 7.2668e-04 1.L14 CB = 48.558(S), Expected = 42.31, Std = 1.8800, ChiSquare = 8.8926e-04 1.L14 HG = 0.321(S), Expected = 1.51, Std = 0.3300, ChiSquare = 3.1453e-04 1.P43 HB2 = 0.761(S), Expected = 2.08, Std = 0.3500, ChiSquare = 1.6418e-04 1.P43 HB3 = 0.743(S), Expected = 2.00, Std = 0.3600, ChiSquare = 4.8002e-04 1.N76 HB2 = 1.714(S), Expected = 2.81, Std = 0.3100, ChiSquare = 4.0703e-04 1.I81 HG13 = -0.170(S), Expected = 1.19, Std = 0.4100, ChiSquare = 9.0966e-04 1.I81 HG21 = -0.190(S), Expected = 0.77, Std = 0.2700, ChiSquare = 3.7718e-04 1.I81 HG22 = -0.190(S), Expected = 0.77, Std = 0.2700, ChiSquare = 3.7718e-04 1.I81 HG23 = -0.190(S), Expected = 0.77, Std = 0.2700, ChiSquare = 3.7718e-04 1.G83 HA3 = 2.657(S), Expected = 3.90, Std = 0.3700, ChiSquare = 7.8095e-04 1.F87 CZ = 121.774(S), Expected = 129.21, Std = 1.4300, ChiSquare = 1.9929e-07 1.R108 HA = 1.918(S), Expected = 4.30, Std = 0.4600, ChiSquare = 2.2396e-07 1.R108 HG3 = 0.533(S), Expected = 1.54, Std = 0.2900, ChiSquare = 5.1580e-04 1.R108 SRO Rule Break>> HA > HD2 : 0.991153846153846 1.V111 CG2 = 26.982(S), Expected = 21.26, Std = 1.5600, ChiSquare = 2.4450e-04 1.L115 HG = -0.074(S), Expected = 1.51, Std = 0.3300, ChiSquare = 1.5867e-06