Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.S1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.A2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> A 0.88 M 0.07 C 0.02 C Shift Assignments>> C :: 177.184 CA :: 52.459 CB :: 19.488 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> HA :: 4.384 HB1 :: 1.395 HB2 :: 1.395 HB3 :: 1.395 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) 1.K3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.47 C 0.38 R 0.12 G 0.01 C Shift Assignments>> C :: 176.038 CA :: 56.188 CB :: 33.261 CG :: 24.729 CD :: 29.044 CE :: 42.281 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 :: 8.272 HA :: 4.319 HB2 :: 1.766 HB3 :: 1.766 HG2 :: 1.398 HG3 :: 1.398 HD2 :: 1.665 HD3 :: 1.665 HE2 :: 2.984 HE3 :: 2.984 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 :: 120.996 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.65 C 0.24 R 0.05 G 0.03 A 0.01 HN Overlap>> 1.L131 1.L131 C Shift Assignments>> C :: 175.745 CA :: 54.792 CB :: 42.683 CG :: 26.997 CD1 :: 25.089 CD2 :: 23.725 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 :: 8.247 HA :: 4.396 HB2 :: 1.547 HB3 :: 1.482 HG :: 1.557 HD11 :: 0.816 HD12 :: 0.816 HD13 :: 0.816 HD21 :: 0.801 HD22 :: 0.801 HD23 :: 0.801 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 :: 124.847 Ave N Shift Values>> N :: 121.86(3.9) 1.E5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 M 0.33 E 0.24 Q 0.02 HN Overlap>> 1.Y134 1.K60 1.Y134 1.K60 C Shift Assignments>> C :: 176.076 CA :: 54.997 CB :: 32.353 CG :: 36.114 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.093 HA :: 4.519 HB2 :: 2.058 HB3 :: 1.824 HG2 :: 2.197 HG3 :: 2.197 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 :: 120.599 Ave N Shift Values>> N :: 120.67(3.48) 1.C6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.53 C 0.15 Y 0.07 D 0.05 F 0.05 E 0.05 M 0.04 L 0.01 C Shift Assignments>> C :: 172.237 CA :: 53.218 CB :: 37.445 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.750 HA :: 4.736 HB2 :: 2.893 HB3 :: 2.790 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 :: 120.079 Ave N Shift Values>> N :: 120.17(4.64) 1.P7 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.67 C 0.32 C Shift Assignments>> C :: 176.014 CA :: 62.472 CB :: 31.201 CG :: 27.068 CD :: 49.713 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 :: 4.349 HB2 :: 2.162 HB3 :: 1.339 HG2 :: 1.446 HG3 :: 0.552(S) HD2 :: 3.552 HD3 :: 2.568 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.Q8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 K 0.27 Q 0.27 R 0.05 E 0.05 M 0.03 I 0.01 C Shift Assignments>> C :: 176.701 CA :: 58.086 CB :: 28.843 CG :: 33.604 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 :: 8.443 HA :: 4.108 HB2 :: 2.165 HB3 :: 2.044 HG2 :: 2.485 HG3 :: 2.485 HE21 :: 7.686 HE22 :: 6.886 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 :: 120.940 NE2 :: 112.771 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.D9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.25 F 0.25 C 0.13 D 0.13 L 0.08 N 0.07 I 0.05 C Shift Assignments>> C :: 176.201 CA :: 56.613 CB :: 39.412 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 :: 9.023 HA :: 4.516 HB2 :: 3.344 HB3 :: 3.025 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 :: 116.982 Ave N Shift Values>> N :: 120.65(3.86) 1.W10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.51 C 0.48 C Shift Assignments>> C :: 175.997 CA :: 57.664 CB :: 29.075 CD1 :: 128.146 CE3 :: 120.831 CZ2 :: 114.423 CZ3 :: 120.917 CH2 :: 122.279 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 :: 8.440 HA :: 5.063 HB2 :: 3.292 HB3 :: 3.234 HD1 :: 7.609 HE1 :: 10.315 HE3 :: 7.145 HZ2 :: 7.240 HZ3 :: 6.674 HH2 :: 6.655 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 121.568 NE1 :: 131.880 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.L11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.44 G 0.27 C 0.22 R 0.03 A 0.02 C Shift Assignments>> C :: 176.837 CA :: 54.607 CB :: 44.386 CG :: 27.459 CD1 :: 23.526 CD2 :: 25.000 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 :: 9.613 HA :: 4.764 HB2 :: 1.858 HB3 :: 1.858 HG :: 1.866 HD11 :: 0.972 HD12 :: 0.972 HD13 :: 0.972 HD21 :: 0.887 HD22 :: 0.887 HD23 :: 0.887 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.195 Ave N Shift Values>> N :: 121.86(3.9) 1.S12 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 :: 174.164 CA :: 57.066 CB :: 65.488 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.733 HA :: 5.389 HB2 :: 3.896 HB3 :: 3.896 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 :: 116.705 Ave N Shift Values>> N :: 116.28(3.52) 1.H13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 H 0.32 W 0.32 C Shift Assignments>> C :: 173.536 CA :: 57.277 CB :: 31.952 CD2 :: 121.802 CE1 :: 137.164 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 :: 8.303 HA :: 4.305 HB2 :: 2.682 HB3 :: 2.186 HD2 :: 6.764 HE1 :: 7.753 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 :: 123.615 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.R14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 R 0.25 L 0.18 G 0.12 K 0.03 C Shift Assignments>> C :: 175.434 CA :: 58.414 CB :: 27.782 CG :: 26.686 CD :: 43.725 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 :: 8.858 HA :: 3.522 HB2 :: 1.749 HB3 :: 1.749 HG2 :: 1.239 HG3 :: 0.666 HD2 :: 3.039 HD3 :: 3.039 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 :: 125.609 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.D15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> D 0.31 L 0.17 N 0.16 F 0.12 Y 0.1 C 0.07 K 0.03 C Shift Assignments>> C :: 174.250 CA :: 54.485 CB :: 40.448 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> HA :: 4.763 HB2 :: 2.933 HB3 :: 2.840 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) 1.K16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.53 C 0.43 G 0.01 C Shift Assignments>> C :: 175.472 CA :: 55.564 CB :: 38.305 CG :: 26.360 CD :: 30.472 CE :: 42.444 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 :: 8.289 HA :: 5.016 HB2 :: 1.753 HB3 :: 1.297 HG2 :: 1.562 HG3 :: 1.238 HD2 :: 1.855 HD3 :: 1.578 HE2 :: 2.981 HE3 :: 2.896 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.266 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.C17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.32 D 0.21 R 0.19 G 0.11 C 0.04 K 0.03 F 0.03 N 0.02 Y 0.01 C Shift Assignments>> C :: 174.859 CA :: 52.547 CB :: 43.197 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.492 HA :: 5.934 HB2 :: 3.186 HB3 :: 2.593 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 :: 118.232 Ave N Shift Values>> N :: 120.17(4.64) 1.F18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.72 C 0.17 G 0.1 C Shift Assignments>> C :: 174.238 CA :: 56.427 CB :: 43.190 CD1 :: 131.696 CD2 :: 131.696 CE1 :: 131.566 CE2 :: 131.566 CZ :: 129.981 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 :: 10.029 HA :: 6.246 HB2 :: 3.050 HB3 :: 2.946 HD1 :: 7.246 HD2 :: 7.246 HE1 :: 7.317 HE2 :: 7.317 HZ :: 7.450 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 121.121 Ave N Shift Values>> N :: 120.45(4.18) 1.H19 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> H 0.39 W 0.34 C 0.25 C Shift Assignments>> C :: 172.933 CA :: 55.082 CB :: 30.399 CE1 :: 138.439 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 :: 8.624 HA :: 4.363 HB2 :: 1.252(S) HB3 :: 0.152(S) HE1 :: 7.584 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 :: 122.393 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.V20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.55 C 0.44 C Shift Assignments>> C :: 174.971 CA :: 61.049 CB :: 32.109 CG1 :: 22.183 CG2 :: 20.101 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 :: 7.880 HA :: 4.191 HB :: 1.700 HG11 :: 0.772 HG12 :: 0.772 HG13 :: 0.772 HG21 :: 0.598 HG22 :: 0.598 HG23 :: 0.598 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 :: 128.351 Ave N Shift Values>> N :: 121.14(4.54) 1.S21 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.842 CA :: 59.417 CB :: 62.993 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.802 HA :: 3.904 HB2 :: 3.086 HB3 :: 2.303(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 :: 123.985 Ave N Shift Values>> N :: 116.28(3.52) 1.Q22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.3 C 0.23 K 0.19 M 0.13 E 0.11 C Shift Assignments>> C :: 175.650 CA :: 55.726 CB :: 30.042 CG :: 34.180 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 :: 8.866 HA :: 4.273 HB2 :: 2.263 HB3 :: 1.874 HG2 :: 2.413 HG3 :: 2.357 HE21 :: 7.455 HE22 :: 6.863 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.390 NE2 :: 112.503 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.V23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.62 V 0.37 C Shift Assignments>> C :: 172.691 CA :: 59.786 CB :: 34.368 CG1 :: 21.611 CG2 :: 19.350 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 :: 6.897 HA :: 4.314 HB :: 2.203 HG11 :: 1.002 HG12 :: 1.002 HG13 :: 1.002 HG21 :: 0.940 HG22 :: 0.940 HG23 :: 0.940 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 :: 113.258 Ave N Shift Values>> N :: 121.14(4.54) 1.S24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.S63 1.S63 C Shift Assignments>> C :: 173.846 CA :: 56.040 CB :: 65.361 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.125 HA :: 4.894 HB2 :: 3.443 HB3 :: 3.308 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 :: 115.205 Ave N Shift Values>> N :: 116.28(3.52) 1.N25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.35 L 0.23 N 0.12 K 0.1 F 0.05 C 0.04 Y 0.04 R 0.02 C Shift Assignments>> C :: 175.285 CA :: 53.030 CB :: 41.535 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 :: 9.854 HA :: 5.088 HB2 :: 3.220 HB3 :: 3.084 HD21 :: 8.053 HD22 :: 7.279 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 :: 122.669 ND2 :: 113.984 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.T26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.84 C 0.15 C Shift Assignments>> C :: 174.350 CA :: 61.930 CB :: 70.719 CG2 :: 22.491 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 :: 9.718 HA :: 5.520 HB :: 5.119 HG21 :: 1.533 HG22 :: 1.533 HG23 :: 1.533 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 :: 113.569 Ave N Shift Values>> N :: 115.42(4.75) 1.W27 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.58 W 0.41 C Shift Assignments>> C :: 177.624 CA :: 62.651 CB :: 30.428 CD1 :: 126.781 CE3 :: 120.327 CZ2 :: 112.901 CZ3 :: 120.277 CH2 :: 122.060 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 :: 7.836 HA :: 2.617(S) HB2 :: 2.871 HB3 :: 1.292(S) HD1 :: 7.038 HE1 :: 10.523 HE3 :: 7.047 HZ2 :: 7.046 HZ3 :: 7.091 HH2 :: 7.042 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 121.857 NE1 :: 127.250 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) SRO Rule Breaks>> (HA > HB2 : 0.9942) 1.E28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 I 0.27 E 0.27 K 0.02 HN Overlap>> 1.S113 1.S113 C Shift Assignments>> C :: 178.928 CA :: 59.589 CB :: 29.480 CG :: 37.250 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 :: 8.827 HA :: 3.708 HB2 :: 2.095 HB3 :: 2.035 HG2 :: 2.493 HG3 :: 2.450 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 114.949 Ave N Shift Values>> N :: 120.67(3.48) 1.E29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.3 I 0.22 K 0.06 Q 0.03 C Shift Assignments>> C :: 179.587 CA :: 58.569 CB :: 28.133 CG :: 36.478 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 :: 7.259 HA :: 3.926 HB2 :: 1.829 HB3 :: 1.829 HG2 :: 2.321 HG3 :: 2.113 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.462 Ave N Shift Values>> N :: 120.67(3.48) 1.G30 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> C :: 173.516 CA :: 45.742 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.871 HA2 :: 2.041(S) HA3 :: 1.288(S) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.186 Ave N Shift Values>> N :: 109.67(3.87) 1.L31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.49 C 0.48 R 0.01 C Shift Assignments>> C :: 179.828 CA :: 58.955 CB :: 41.475 CG :: 26.609 CD1 :: 25.639 CD2 :: 25.332 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 :: 7.610 HA :: 3.345 HB2 :: 1.726 HB3 :: 0.552 HG :: 1.387 HD11 :: 0.812 HD12 :: 0.812 HD13 :: 0.812 HD21 :: 0.737 HD22 :: 0.737 HD23 :: 0.737 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 :: 122.216 Ave N Shift Values>> N :: 121.86(3.9) 1.V32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.9 C 0.09 HN Overlap>> 1.L90 1.L90 C Shift Assignments>> C :: 179.041 CA :: 65.867 CB :: 31.976 CG1 :: 22.585 CG2 :: 21.298 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 :: 7.571 HA :: 3.651 HB :: 2.024 HG11 :: 1.033 HG12 :: 1.033 HG13 :: 1.033 HG21 :: 0.974 HG22 :: 0.974 HG23 :: 0.974 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 :: 118.301 Ave N Shift Values>> N :: 121.14(4.54) 1.D33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.36 L 0.18 F 0.11 C 0.08 Y 0.07 G 0.06 K 0.06 D 0.03 I 0.01 C Shift Assignments>> C :: 179.766 CA :: 58.137 CB :: 43.435 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 :: 7.924 HA :: 4.377 HB2 :: 2.865 HB3 :: 2.664 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 :: 123.085 Ave N Shift Values>> N :: 120.65(3.86) 1.C34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.21 Q 0.21 C 0.2 K 0.16 E 0.08 H 0.03 R 0.03 W 0.01 Y 0.01 V 0.01 C Shift Assignments>> C :: 177.697 CA :: 56.070 CB :: 34.421 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.486 HA :: 4.504 HB2 :: 2.742 HB3 :: 2.595 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 :: 115.181 Ave N Shift Values>> N :: 120.17(4.64) 1.D35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.24 F 0.18 L 0.14 Y 0.13 R 0.12 C 0.08 D 0.04 I 0.03 C Shift Assignments>> C :: 180.457 CA :: 58.270 CB :: 42.143 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 :: 8.458 HA :: 4.754 HB2 :: 2.814 HB3 :: 2.772 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 :: 123.300 Ave N Shift Values>> N :: 120.65(3.86) 1.G36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 C 0.05 L 0.05 C Shift Assignments>> C :: 175.345 CA :: 46.876 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.281 HA2 :: 4.152 HA3 :: 4.098 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.140 Ave N Shift Values>> N :: 109.67(3.87) 1.K37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.33 R 0.25 G 0.01 C Shift Assignments>> C :: 176.415 CA :: 55.830 CB :: 33.754 CG :: 25.664 CD :: 29.746 CE :: 42.308 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 :: 7.587 HA :: 4.546 HB2 :: 2.372 HB3 :: 2.014 HG2 :: 1.759 HG3 :: 1.592 HD2 :: 1.692 HD3 :: 1.477 HE2 :: 2.821 HE3 :: 2.821 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 :: 119.450 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 C 0.05 L 0.05 C Shift Assignments>> C :: 174.144 CA :: 46.791 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.205 HA2 :: 4.041 HA3 :: 3.924 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.781 Ave N Shift Values>> N :: 109.67(3.87) 1.A39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.4 P 0.22 C 0.2 K 0.07 A 0.06 C Shift Assignments>> C :: 174.817 CA :: 50.174 CB :: 24.153 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.107 HA :: 5.116 HB1 :: 1.664 HB2 :: 1.664 HB3 :: 1.664 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.317 Ave N Shift Values>> N :: 123.23(3.54) 1.T40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.49 C 0.49 A 0.01 C Shift Assignments>> C :: 175.723 CA :: 60.173 CB :: 72.452 CG2 :: 19.570 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 :: 8.566 HA :: 5.080 HB :: 4.344 HG21 :: 1.295 HG22 :: 1.295 HG23 :: 1.295 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 :: 108.747 Ave N Shift Values>> N :: 115.42(4.75) 1.L41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 G 0.29 L 0.29 R 0.07 C Shift Assignments>> C :: 177.800 CA :: 56.676 CB :: 44.624 CG :: 27.899 CD1 :: 24.451 CD2 :: 25.686 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.791 HA :: 5.054 HB2 :: 1.568 HB3 :: 1.338 HG :: 1.182 HD11 :: 0.720 HD12 :: 0.720 HD13 :: 0.720 HD21 :: -0.053 HD22 :: -0.053 HD23 :: -0.053 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.750 Ave N Shift Values>> N :: 121.86(3.9) 1.M42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.62 M 0.33 A 0.03 HN Overlap>> 1.F111 1.S83 1.F111 1.S83 C Shift Assignments>> C :: 174.097 CA :: 57.887 CB :: 34.299 CG :: 32.346 CE :: 19.358 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 :: 7.983 HA :: 4.098 HB2 :: 2.081 HB3 :: 1.998 HG2 :: 2.647 HG3 :: 2.480 HE1 :: 1.816 HE2 :: 1.816 HE3 :: 1.816 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 :: 116.452 Ave N Shift Values>> N :: 120.09(3.57) 1.L43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.61 C 0.21 R 0.12 G 0.05 C Shift Assignments>> C :: 174.928 CA :: 53.533 CB :: 42.828 CG :: 27.259 CD1 :: 25.869 CD2 :: 25.869 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 :: 8.078 HA :: 4.517 HB2 :: 1.555 HB3 :: 0.897 HG :: 1.771 HD11 :: 0.957 HD12 :: 0.957 HD13 :: 0.957 HD21 :: 0.900 HD22 :: 0.900 HD23 :: 0.900 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 :: 128.106 Ave N Shift Values>> N :: 121.86(3.9) 1.I44 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.62 C 0.37 C Shift Assignments>> C :: 175.736 CA :: 61.051 CB :: 38.168 CG1 :: 28.040 CG2 :: 18.786 CD1 :: 14.691 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 :: 5.273(S) HA :: 4.202 HB :: 1.906 HG12 :: 1.735 HG13 :: 0.980 HG21 :: 0.882 HG22 :: 0.882 HG23 :: 0.882 HD11 :: 1.006 HD12 :: 1.006 HD13 :: 1.006 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 :: 118.686 Ave N Shift Values>> N :: 121.46(4.28) 1.Q45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 Q 0.24 M 0.21 E 0.15 K 0.09 C Shift Assignments>> C :: 175.402 CA :: 57.103 CB :: 30.833 CG :: 34.344 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 :: 9.722 HA :: 4.179 HB2 :: 2.062 HB3 :: 1.975 HG2 :: 2.261 HG3 :: 2.216 HE21 :: 7.646 HE22 :: 6.953 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 :: 127.754 NE2 :: 112.353 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.D46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.31 D 0.24 R 0.17 K 0.08 C 0.04 F 0.04 N 0.03 G 0.03 Y 0.02 C Shift Assignments>> C :: 175.286 CA :: 53.256 CB :: 42.752 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 :: 7.545 HA :: 4.644 HB2 :: 3.051 HB3 :: 3.051 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 114.490 Ave N Shift Values>> N :: 120.65(3.86) 1.Q47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 Q 0.23 K 0.22 E 0.1 I 0.04 R 0.04 C Shift Assignments>> C :: 177.858 CA :: 58.995 CB :: 28.468 CG :: 34.321 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 :: 8.954 HA :: 4.003 HB2 :: 2.210 HB3 :: 2.210 HG2 :: 2.565 HG3 :: 2.565 HE21 :: 7.601 HE22 :: 6.837 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.745 NE2 :: 111.442 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 I 0.32 E 0.25 K 0.03 Q 0.01 HN Overlap>> 1.K78 1.K78 C Shift Assignments>> C :: 179.073 CA :: 59.950 CB :: 28.747 CG :: 36.724 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 :: 8.532 HA :: 4.082 HB2 :: 2.165 HB3 :: 2.165 HG2 :: 2.463 HG3 :: 2.396 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.721 Ave N Shift Values>> N :: 120.67(3.48) 1.E49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 E 0.23 I 0.18 M 0.02 C Shift Assignments>> C :: 177.707 CA :: 59.829 CB :: 30.627 CG :: 37.578 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 :: 8.336 HA :: 3.776 HB2 :: 2.290 HB3 :: 2.180 HG2 :: 2.401 HG3 :: 2.279 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 :: 120.709 Ave N Shift Values>> N :: 120.67(3.48) 1.L50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 C 0.43 R 0.05 C Shift Assignments>> C :: 177.342 CA :: 58.275 CB :: 41.705 CG :: 27.122 CD1 :: 25.788 CD2 :: 23.356 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 :: 7.175 HA :: 3.937 HB2 :: 2.066 HB3 :: 1.433 HG :: 1.553 HD11 :: 0.953 HD12 :: 0.953 HD13 :: 0.953 HD21 :: 0.856 HD22 :: 0.856 HD23 :: 0.856 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 :: 118.070 Ave N Shift Values>> N :: 121.86(3.9) 1.R51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 R 0.42 G 0.07 K 0.04 C Shift Assignments>> C :: 177.876 CA :: 59.373 CB :: 29.928 CG :: 26.787 CD :: 43.360 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 :: 8.135 HA :: 3.807 HB2 :: 1.979 HB3 :: 1.979 HG2 :: 1.775 HG3 :: 1.730 HD2 :: 3.290 HD3 :: 3.231 HE :: 7.450 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 :: 117.898 NE :: 84.850 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.F52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.66 C 0.33 C Shift Assignments>> C :: 178.379 CA :: 61.280 CB :: 38.514 CD1 :: 131.429 CD2 :: 131.429 CE1 :: 131.258 CE2 :: 131.258 CZ :: 130.350 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 :: 8.003 HA :: 4.128 HB2 :: 2.858 HB3 :: 2.685 HD1 :: 6.929 HD2 :: 6.929 HE1 :: 7.221 HE2 :: 7.221 HZ :: 7.327 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 :: 118.865 Ave N Shift Values>> N :: 120.45(4.18) 1.L53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 C 0.39 C Shift Assignments>> C :: 178.870 CA :: 57.296 CB :: 41.331 CG :: 26.960 CD1 :: 24.225 CD2 :: 22.982 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 :: 7.824 HA :: 3.404 HB2 :: 1.614 HB3 :: 1.272 HG :: 1.437 HD11 :: 0.443 HD12 :: 0.443 HD13 :: 0.443 HD21 :: 0.297 HD22 :: 0.297 HD23 :: 0.297 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 :: 122.451 Ave N Shift Values>> N :: 121.86(3.9) 1.L54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 C 0.44 C Shift Assignments>> C :: 179.783 CA :: 57.933 CB :: 40.931 CG :: 26.379 CD1 :: 25.460 CD2 :: 22.649 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 :: 8.361 HA :: 3.787 HB2 :: 1.795 HB3 :: 1.382 HG :: 1.787 HD11 :: 0.748 HD12 :: 0.748 HD13 :: 0.748 HD21 :: 0.725 HD22 :: 0.725 HD23 :: 0.725 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 :: 117.828 Ave N Shift Values>> N :: 121.86(3.9) 1.D55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.19 F 0.18 L 0.18 Y 0.15 K 0.11 C 0.08 N 0.04 I 0.01 C Shift Assignments>> C :: 177.824 CA :: 56.232 CB :: 40.833 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 :: 7.933 HA :: 4.377 HB2 :: 2.627 HB3 :: 2.519 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 :: 116.846 Ave N Shift Values>> N :: 120.65(3.86) 1.S56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.277 CA :: 60.677 CB :: 63.675 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.441 HA :: 4.122 HB2 :: 3.500 HB3 :: 3.500 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 :: 114.399 Ave N Shift Values>> N :: 116.28(3.52) 1.I57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.72 C 0.27 C Shift Assignments>> C :: 175.873 CA :: 61.811 CB :: 38.566 CG1 :: 27.031 CG2 :: 18.036 CD1 :: 13.218 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 :: 7.378 HA :: 3.797 HB :: 1.580 HG12 :: 1.282 HG13 :: 0.625 HG21 :: 0.534 HG22 :: 0.534 HG23 :: 0.534 HD11 :: 0.128 HD12 :: 0.128 HD13 :: 0.128 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 :: 121.159 Ave N Shift Values>> N :: 121.46(4.28) 1.K58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.39 R 0.18 C Shift Assignments>> C :: 177.266 CA :: 57.324 CB :: 32.290 CG :: 24.835 CD :: 28.864 CE :: 42.329 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 :: 8.218 HA :: 4.164 HB2 :: 1.853 HB3 :: 1.853 HG2 :: 1.448 HG3 :: 1.407 HD2 :: 1.655 HD3 :: 1.655 HE2 :: 3.014 HE3 :: 3.014 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 124.292 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.41 C 0.32 K 0.11 Q 0.06 I 0.05 M 0.01 C Shift Assignments>> C :: 176.023 CA :: 55.914 CB :: 28.831 CG :: 36.391 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 :: 7.761 HA :: 4.351 HB2 :: 2.018 HB3 :: 1.805 HG2 :: 2.326 HG3 :: 2.177 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.807 Ave N Shift Values>> N :: 120.67(3.48) 1.K60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.41 C 0.38 R 0.19 G 0.01 HN Overlap>> 1.Y134 1.Y134 1.E5 1.E5 C Shift Assignments>> C :: 176.229 CA :: 57.008 CB :: 32.431 CG :: 24.821 CD :: 28.865 CE :: 42.390 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 :: 8.051 HA :: 4.157 HB2 :: 1.710 HB3 :: 1.590 HG2 :: 1.295 HG3 :: 1.295 HD2 :: 1.572 HD3 :: 1.572 HE2 :: 2.965 HE3 :: 2.965 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 :: 120.606 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Y61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.57 C 0.41 C Shift Assignments>> C :: 175.714 CA :: 57.110 CB :: 37.499 CD1 :: 133.351 CD2 :: 133.351 CE1 :: 118.358 CE2 :: 118.358 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 :: 7.756 HA :: 4.594 HB2 :: 3.107 HB3 :: 2.997 HD1 :: 7.101 HD2 :: 7.101 HE1 :: 6.853 HE2 :: 6.853 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 :: 115.876 Ave N Shift Values>> N :: 120.52(4.2) 1.N62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.37 L 0.21 N 0.16 K 0.07 F 0.05 C 0.05 Y 0.03 R 0.01 C Shift Assignments>> C :: 173.016 CA :: 52.654 CB :: 41.378 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 :: 7.477 HA :: 4.730 HB2 :: 2.264 HB3 :: 2.264 HD21 :: 7.267 HD22 :: 6.830 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 :: 118.634 ND2 :: 111.205 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.S63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.S24 1.S24 C Shift Assignments>> C :: 172.817 CA :: 57.506 CB :: 63.821 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.107 HA :: 5.256 HB2 :: 3.254 HB3 :: 3.219 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 :: 115.211 Ave N Shift Values>> N :: 116.28(3.52) 1.F64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.79 C 0.18 G 0.01 C Shift Assignments>> C :: 175.495 CA :: 55.442 CB :: 42.226 CD1 :: 131.890 CD2 :: 131.890 CE1 :: 131.819 CE2 :: 131.819 CZ :: 128.979 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 :: 8.735 HA :: 4.588 HB2 :: 2.822 HB3 :: 2.615 HD1 :: 7.015 HD2 :: 7.015 HE1 :: 6.861 HE2 :: 6.861 HZ :: 7.040 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 :: 118.959 Ave N Shift Values>> N :: 120.45(4.18) 1.W65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.96 W 0.03 C Shift Assignments>> C :: 175.951 CA :: 58.078 CB :: 32.676 CD1 :: 129.414 CE3 :: 122.749 CZ2 :: 116.947 CZ3 :: 122.866 CH2 :: 126.137 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 :: 10.282 HA :: 5.743 HB2 :: 3.763 HB3 :: 3.643 HD1 :: 7.404 HE1 :: 10.962 HE3 :: 8.622 HZ2 :: 8.235 HZ3 :: 7.114 HH2 :: 7.889 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 :: 124.651 NE1 :: 131.487 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.I66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 I 0.4 C Shift Assignments>> C :: 177.380 CA :: 59.598 CB :: 41.764 CG1 :: 25.875 CG2 :: 18.717 CD1 :: 14.769 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 :: 8.443 HA :: 5.274 HB :: 2.524 HG12 :: 1.648 HG13 :: 1.283 HG21 :: 1.269 HG22 :: 1.269 HG23 :: 1.269 HD11 :: 1.042 HD12 :: 1.042 HD13 :: 1.042 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 :: 109.430 Ave N Shift Values>> N :: 121.46(4.28) 1.G67 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.75 A 0.11 N 0.06 D 0.02 C 0.01 C Shift Assignments>> C :: 172.897 CA :: 49.995(S) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 10.395 HA2 :: 4.625 HA3 :: 3.689 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.319 Ave N Shift Values>> N :: 109.67(3.87) 1.L68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.42 C 0.23 L 0.2 A 0.14 C Shift Assignments>> C :: 173.367 CA :: 54.637 CB :: 46.081 CG :: 26.317 CD1 :: 25.664 CD2 :: 21.998 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 :: 8.446 HA :: 4.884 HB2 :: 1.440 HB3 :: 0.784 HG :: 1.309 HD11 :: 0.051 HD12 :: 0.051 HD13 :: 0.051 HD21 :: -0.189 HD22 :: -0.189 HD23 :: -0.189 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 :: 127.499 Ave N Shift Values>> N :: 121.86(3.9) 1.R69 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.52 R 0.18 K 0.14 G 0.13 HN Overlap>> 1.A102 1.A102 C Shift Assignments>> C :: 173.026 CA :: 55.478 CB :: 34.344 CG :: 25.978 CD :: 43.527 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 :: 8.479 HA :: 4.910 HB2 :: 1.403 HB3 :: 1.338 HG2 :: 1.227 HG3 :: 1.227 HD2 :: 2.390 HD3 :: 1.931(S) HE :: 6.747 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 :: 124.432 NE :: 85.537 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.Y70 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Y 0.6 C 0.39 C Shift Assignments>> C :: 175.118 CA :: 57.747 CB :: 38.231 CD1 :: 132.752 CD2 :: 132.752 CE1 :: 116.986 CE2 :: 116.986 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 :: 7.936 HA :: 3.876 HB2 :: 1.979 HB3 :: 0.467(S) HD1 :: 5.700(S) HD2 :: 5.700(S) HE1 :: 6.165 HE2 :: 6.165 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 :: 128.687 Ave N Shift Values>> N :: 120.52(4.2) 1.T71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.83 C 0.16 C Shift Assignments>> C :: 172.547 CA :: 60.631 CB :: 71.324 CG2 :: 21.288 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 :: 7.701 HA :: 4.477 HB :: 3.896 HG21 :: 1.036 HG22 :: 1.036 HG23 :: 1.036 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 :: 120.097 Ave N Shift Values>> N :: 115.42(4.75) 1.L72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.75 C 0.19 R 0.02 A 0.01 C Shift Assignments>> C :: 175.916 CA :: 52.874 CB :: 41.820 CG :: 27.802 CD1 :: 24.973 CD2 :: 24.188 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 :: 8.487 HA :: 4.266 HB2 :: 1.598 HB3 :: 1.458 HG :: 1.609 HD11 :: 0.905 HD12 :: 0.905 HD13 :: 0.905 HD21 :: 0.855 HD22 :: 0.855 HD23 :: 0.855 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 125.241 Ave N Shift Values>> N :: 121.86(3.9) 1.P73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.9 P 0.07 A 0.01 C Shift Assignments>> C :: 176.278 CA :: 63.549 CB :: 34.136 CG :: 24.167 CD :: 50.136 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 :: 4.409 HB2 :: 2.268 HB3 :: 2.268 HG2 :: 1.957 HG3 :: 1.699 HD2 :: 3.534 HD3 :: 3.463 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.D74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.24 Y 0.24 D 0.15 C 0.12 L 0.1 N 0.07 I 0.04 C Shift Assignments>> C :: 175.592 CA :: 56.528 CB :: 39.688 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 :: 8.716 HA :: 4.157 HB2 :: 2.512 HB3 :: 2.401 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 :: 123.018 Ave N Shift Values>> N :: 120.65(3.86) 1.M75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 M 0.36 A 0.11 C Shift Assignments>> C :: 174.354 CA :: 56.042 CB :: 29.181 CG :: 32.333 CE :: 16.868 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 :: 8.421 HA :: 3.319 HB2 :: 2.265 HB3 :: 2.172 HG2 :: 2.463 HG3 :: 2.302 HE1 :: 2.113 HE2 :: 2.113 HE3 :: 2.113 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 :: 113.361 Ave N Shift Values>> N :: 120.09(3.57) 1.N76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.37 L 0.22 N 0.16 K 0.06 C 0.05 F 0.03 R 0.03 Y 0.02 G 0.01 C Shift Assignments>> C :: 173.984 CA :: 51.283 CB :: 41.823 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 :: 6.883 HA :: 4.808 HB2 :: 2.648 HB3 :: 2.598 HD21 :: 7.470 HD22 :: 6.864 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 :: 112.997 ND2 :: 111.920 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.W77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.52 C 0.47 C Shift Assignments>> C :: 175.329 CA :: 57.615 CB :: 30.117 CD1 :: 126.794 CE3 :: 119.336 CZ2 :: 114.452 CZ3 :: 121.150 CH2 :: 124.037 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 :: 8.766 HA :: 4.534 HB2 :: 3.091 HB3 :: 2.800 HD1 :: 7.294 HE1 :: 9.921 HE3 :: 7.001 HZ2 :: 6.464 HZ3 :: 6.662 HH2 :: 6.582 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 122.857 NE1 :: 129.954 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.K78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 K 0.28 R 0.19 G 0.01 HN Overlap>> 1.E48 1.E48 C Shift Assignments>> C :: 177.225 CA :: 55.149 CB :: 36.697 CG :: 24.954 CD :: 29.507 CE :: 42.168 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 :: 8.584 HA :: 4.969 HB2 :: 1.800 HB3 :: 1.633 HG2 :: 1.350 HG3 :: 1.312 HD2 :: 1.608 HD3 :: 1.608 HE2 :: 2.921 HE3 :: 2.921 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 :: 121.731 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.W79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.71 W 0.28 C Shift Assignments>> C :: 180.969 CA :: 56.692 CB :: 31.944 CD1 :: 129.491 CE3 :: 120.805 CZ2 :: 115.797 CZ3 :: 122.926 CH2 :: 123.774 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 9.045 HA :: 5.677 HB2 :: 3.619 HB3 :: 3.521 HD1 :: 7.233 HE1 :: 10.616 HE3 :: 7.355 HZ2 :: 7.478 HZ3 :: 6.986 HH2 :: 8.263 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 :: 124.809 NE1 :: 130.422 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.I80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.75 C 0.24 C Shift Assignments>> C :: 175.690 CA :: 63.782 CB :: 38.284 CG1 :: 27.409 CG2 :: 19.480 CD1 :: 15.226 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 :: 8.493 HA :: 4.355 HB :: 2.407 HG12 :: 1.763 HG13 :: 1.661 HG21 :: 1.343 HG22 :: 1.343 HG23 :: 1.343 HD11 :: 1.162 HD12 :: 1.162 HD13 :: 1.162 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 :: 114.947 Ave N Shift Values>> N :: 121.46(4.28) 1.N81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.6 C 0.13 D 0.07 Y 0.06 F 0.05 E 0.02 M 0.02 L 0.01 C Shift Assignments>> C :: 176.344 CA :: 52.787 CB :: 37.778 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 :: 7.370 HA :: 4.892 HB2 :: 3.439 HB3 :: 2.818 HD21 :: 7.830 HD22 :: 7.042 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 :: 116.185 ND2 :: 112.208 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.84 L 0.09 C 0.02 R 0.01 C Shift Assignments>> C :: 174.321 CA :: 45.306 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.621 HA2 :: 4.506 HA3 :: 3.801 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.864 Ave N Shift Values>> N :: 109.67(3.87) 1.S83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.F111 1.F111 1.M42 1.M42 C Shift Assignments>> C :: 174.042 CA :: 58.822 CB :: 64.512 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.894 HA :: 4.688 HB2 :: 4.194 HB3 :: 4.151 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 :: 116.447 Ave N Shift Values>> N :: 116.28(3.52) 1.T84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.89 C 0.1 C Shift Assignments>> C :: 174.906 CA :: 62.727 CB :: 70.047 CG2 :: 22.394 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 :: 8.710 HA :: 4.628 HB :: 4.322 HG21 :: 1.410 HG22 :: 1.410 HG23 :: 1.410 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 :: 117.358 Ave N Shift Values>> N :: 115.42(4.75) 1.L85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.43 C 0.3 R 0.17 G 0.08 C Shift Assignments>> C :: 175.973 CA :: 56.168 CB :: 43.460 CG :: 27.123 CD1 :: 23.828 CD2 :: 26.206 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 :: 8.244 HA :: 4.419 HB2 :: 1.915 HB3 :: 1.139 HG :: 1.512 HD11 :: 0.945 HD12 :: 0.945 HD13 :: 0.945 HD21 :: 0.688 HD22 :: 0.688 HD23 :: 0.688 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 125.457 Ave N Shift Values>> N :: 121.86(3.9) 1.N86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.62 D 0.14 C 0.08 F 0.04 Y 0.04 L 0.03 C Shift Assignments>> C :: 176.112 CA :: 52.243 CB :: 38.631 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 :: 9.042 HA :: 5.062 HB2 :: 3.195 HB3 :: 3.022 HD21 :: 7.744 HD22 :: 7.196 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 :: 126.729 ND2 :: 111.772 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.S87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.673 CA :: 59.908 CB :: 63.602 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.724 HA :: 4.606 HB2 :: 4.110 HB3 :: 3.945 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 120.386 Ave N Shift Values>> N :: 116.28(3.52) 1.D88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.22 F 0.18 L 0.18 Y 0.15 C 0.08 K 0.07 N 0.06 I 0.01 HN Overlap>> 1.D99 1.D99 C Shift Assignments>> C :: 177.211 CA :: 55.987 CB :: 40.640 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 :: 8.464 HA :: 4.577 HB2 :: 2.761 HB3 :: 2.761 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 :: 120.189 Ave N Shift Values>> N :: 120.65(3.86) 1.V89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.84 C 0.15 C Shift Assignments>> C :: 175.071 CA :: 64.434 CB :: 32.963 CG1 :: 21.573 CG2 :: 21.112 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 :: 7.783 HA :: 3.987 HB :: 2.203 HG11 :: 1.031 HG12 :: 1.031 HG13 :: 1.031 HG21 :: 0.927 HG22 :: 0.927 HG23 :: 0.927 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 :: 118.259 Ave N Shift Values>> N :: 121.14(4.54) 1.L90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 G 0.25 C 0.19 R 0.02 HN Overlap>> 1.V32 1.V32 C Shift Assignments>> C :: 173.881 CA :: 54.366 CB :: 44.266 CG :: 26.759 CD1 :: 25.260 CD2 :: 25.260 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 :: 7.537 HA :: 4.480 HB2 :: 1.587 HB3 :: 1.473 HG :: 1.536 HD11 :: 0.811 HD12 :: 0.811 HD13 :: 0.811 HD21 :: 0.811 HD22 :: 0.811 HD23 :: 0.811 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 :: 118.198 Ave N Shift Values>> N :: 121.86(3.9) 1.K91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.5 C 0.33 R 0.14 G 0.01 C Shift Assignments>> C :: 175.565 CA :: 55.175 CB :: 33.177 CG :: 24.809 CD :: 28.974 CE :: 42.410 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 :: 8.121 HA :: 4.433 HB2 :: 1.764 HB3 :: 1.764 HG2 :: 1.440 HG3 :: 1.376 HD2 :: 1.695 HD3 :: 1.695 HE2 :: 3.018 HE3 :: 3.018 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 :: 122.032 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.63 C 0.36 HN Overlap>> 1.E97 1.E97 C Shift Assignments>> C :: 176.136 CA :: 60.198 CB :: 39.028 CG1 :: 26.523 CG2 :: 17.331 CD1 :: 11.919 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 :: 8.086 HA :: 4.267 HB :: 1.412 HG12 :: 0.843 HG13 :: 0.664 HG21 :: 0.502 HG22 :: 0.502 HG23 :: 0.502 HD11 :: -0.174 HD12 :: -0.174 HD13 :: -0.174 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 :: 123.168 Ave N Shift Values>> N :: 121.46(4.28) 1.T93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.89 C 0.1 C Shift Assignments>> C :: 173.748 CA :: 61.605 CB :: 70.404 CG2 :: 21.360 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 :: 8.238 HA :: 4.487 HB :: 4.171 HG21 :: 1.178 HG22 :: 1.178 HG23 :: 1.178 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 :: 119.647 Ave N Shift Values>> N :: 115.42(4.75) 1.G94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.62 L 0.19 R 0.07 C 0.04 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 172.757 CA :: 44.714 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.133 HA2 :: 3.957 HA3 :: 3.860 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.397 Ave N Shift Values>> N :: 109.67(3.87) 1.D95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.27 L 0.26 K 0.15 F 0.07 R 0.06 N 0.05 Y 0.04 C 0.04 C Shift Assignments>> C :: 175.600 CA :: 54.183 CB :: 41.877 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 :: 8.285 HA :: 4.743 HB2 :: 2.666 HB3 :: 2.574 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 :: 119.905 Ave N Shift Values>> N :: 120.65(3.86) 1.T96 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 :: 173.508 CA :: 61.369 CB :: 69.775 CG2 :: 20.639 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 :: 7.936 HA :: 4.136 HB :: 3.567 HG21 :: 0.503 HG22 :: 0.503 HG23 :: 0.503 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 :: 115.409 Ave N Shift Values>> N :: 115.42(4.75) 1.E97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.41 C 0.35 M 0.14 Q 0.04 K 0.03 I 0.01 HN Overlap>> 1.I92 1.I92 C Shift Assignments>> C :: 175.455 CA :: 56.162 CB :: 30.688 CG :: 36.422 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 :: 8.186 HA :: 4.224 HB2 :: 1.846 HB3 :: 1.737 HG2 :: 2.189 HG3 :: 2.130 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 :: 123.162 Ave N Shift Values>> N :: 120.67(3.48) 1.N98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 N 0.28 L 0.13 F 0.08 Y 0.06 C 0.06 K 0.01 HN Overlap>> 1.S116 1.S116 C Shift Assignments>> C :: 174.251 CA :: 53.449 CB :: 40.229 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 :: 7.997 HA :: 4.521 HB2 :: 2.698 HB3 :: 2.616 HD21 :: 7.578 HD22 :: 6.905 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 :: 117.342 ND2 :: 112.961 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.D99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 L 0.17 F 0.15 Y 0.13 N 0.12 C 0.08 K 0.04 I 0.01 HN Overlap>> 1.D88 1.D88 1.V109 1.N133 1.V109 1.N133 C Shift Assignments>> C :: 176.261 CA :: 55.138 CB :: 40.395 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 :: 8.365 HA :: 4.593 HB2 :: 2.712 HB3 :: 2.562 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 :: 120.235 Ave N Shift Values>> N :: 120.65(3.86) 1.S100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.86 T 0.13 C Shift Assignments>> C :: 172.411 CA :: 59.212 CB :: 66.127 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.862 HA :: 4.990 HB2 :: 3.820 HB3 :: 3.594 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 :: 116.248 Ave N Shift Values>> N :: 116.28(3.52) 1.C101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.82 C 0.08 L 0.04 F 0.02 Y 0.01 C Shift Assignments>> C :: 172.356 CA :: 59.446 CB :: 45.631 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.231 HA :: 5.056 HB2 :: 2.826 HB3 :: 2.275 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 :: 121.559 Ave N Shift Values>> N :: 120.17(4.64) 1.A102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.63 L 0.25 C 0.09 HN Overlap>> 1.R69 1.R69 C Shift Assignments>> C :: 175.442 CA :: 51.627 CB :: 21.971 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.393 HA :: 5.380 HB1 :: 1.259 HB2 :: 1.259 HB3 :: 1.259 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.390 Ave N Shift Values>> N :: 123.23(3.54) 1.A103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.41 A 0.36 C 0.17 K 0.03 C Shift Assignments>> C :: 176.664 CA :: 50.383 CB :: 23.012 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.859 HA :: 5.491 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 :: 120.824 Ave N Shift Values>> N :: 123.23(3.54) 1.I104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.64 C 0.35 HN Overlap>> 1.E112 1.E112 C Shift Assignments>> C :: 175.968 CA :: 61.121 CB :: 40.293 CG1 :: 28.086 CG2 :: 17.920 CD1 :: 14.050 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.301 HA :: 4.618 HB :: 1.761 HG12 :: 1.767 HG13 :: 1.045 HG21 :: 0.891 HG22 :: 0.891 HG23 :: 0.891 HD11 :: 0.707 HD12 :: 0.707 HD13 :: 0.707 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 119.488 Ave N Shift Values>> N :: 121.46(4.28) 1.S105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.288 CA :: 56.729 CB :: 64.136 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.747 HA :: 4.793 HB2 :: 3.654 HB3 :: 3.597 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 :: 121.988 Ave N Shift Values>> N :: 116.28(3.52) 1.G106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.61 P 0.13 C 0.1 A 0.07 L 0.03 N 0.02 C Shift Assignments>> C :: 173.274 CA :: 47.861 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.283 HA2 :: 4.028 HA3 :: 3.586 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 117.934 Ave N Shift Values>> N :: 109.67(3.87) 1.D107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.35 L 0.19 N 0.17 F 0.07 K 0.06 Y 0.05 C 0.05 HN Overlap>> 1.E129 1.E129 C Shift Assignments>> C :: 174.997 CA :: 53.502 CB :: 40.928 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 :: 8.420 HA :: 4.633 HB2 :: 2.845 HB3 :: 2.637 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 :: 122.936 Ave N Shift Values>> N :: 120.65(3.86) 1.K108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 K 0.39 A 0.04 R 0.02 G 0.01 C Shift Assignments>> C :: 173.949 CA :: 54.743 CB :: 35.423 CG :: 23.345 CD :: 29.150 CE :: 42.200 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 :: 7.764 HA :: 4.724 HB2 :: 1.848 HB3 :: 1.848 HG2 :: 1.525 HG3 :: 1.309 HD2 :: 1.669 HD3 :: 1.669 HE2 :: 2.993 HE3 :: 2.993 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 :: 116.770 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.63 C 0.36 HN Overlap>> 1.D99 1.D99 1.N133 1.N133 C Shift Assignments>> C :: 175.297 CA :: 62.009 CB :: 31.996 CG1 :: 22.091 CG2 :: 22.339 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 :: 8.315 HA :: 4.731 HB :: 1.928 HG11 :: 0.880 HG12 :: 0.880 HG13 :: 0.880 HG21 :: 0.743 HG22 :: 0.743 HG23 :: 0.743 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 :: 120.190 Ave N Shift Values>> N :: 121.14(4.54) 1.T110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.75 C 0.23 C Shift Assignments>> C :: 172.026 CA :: 59.150 CB :: 71.063 CG2 :: 20.896 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 :: 9.253 HA :: 4.765 HB :: 4.069 HG21 :: 1.091 HG22 :: 1.091 HG23 :: 1.091 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 :: 121.358 Ave N Shift Values>> N :: 115.42(4.75) 1.F111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.78 C 0.2 G 0.01 HN Overlap>> 1.S83 1.M42 1.S83 1.M42 C Shift Assignments>> C :: 174.645 CA :: 55.962 CB :: 41.976 CD1 :: 132.375 CD2 :: 132.375 CE1 :: 130.831 CE2 :: 130.831 CZ :: 129.385 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 :: 7.934 HA :: 5.603 HB2 :: 3.065 HB3 :: 3.020 HD1 :: 6.899 HD2 :: 6.899 HE1 :: 6.950 HE2 :: 6.950 HZ :: 6.854 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 :: 116.390 Ave N Shift Values>> N :: 120.45(4.18) 1.E112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.65 M 0.26 E 0.05 Q 0.02 HN Overlap>> 1.I104 1.I104 C Shift Assignments>> C :: 175.303 CA :: 54.687 CB :: 34.154 CG :: 35.289 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 :: 9.266 HA :: 4.920 HB2 :: 2.372 HB3 :: 2.090 HG2 :: 2.320 HG3 :: 2.245 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 :: 119.577 Ave N Shift Values>> N :: 120.67(3.48) 1.S113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.E28 1.E28 C Shift Assignments>> C :: 178.063 CA :: 59.218 CB :: 63.646 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.880 HA :: 4.706 HB2 :: 4.211 HB3 :: 4.044 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 :: 114.911 Ave N Shift Values>> N :: 116.28(3.52) 1.C114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.83 C 0.08 L 0.03 F 0.02 Y 0.01 C Shift Assignments>> C :: 174.382 CA :: 59.652 CB :: 45.624 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.143 HA :: 4.271 HB2 :: 3.164 HB3 :: 2.982 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 :: 125.039 Ave N Shift Values>> N :: 120.17(4.64) 1.N115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.57 C 0.11 D 0.1 Y 0.07 F 0.06 L 0.02 E 0.02 M 0.01 C Shift Assignments>> C :: 175.268 CA :: 53.105 CB :: 38.085 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 :: 8.251 HA :: 5.076 HB2 :: 3.083 HB3 :: 2.890 HD21 :: 7.605 HD22 :: 6.958 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 :: 116.644 ND2 :: 112.325 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.S116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.N98 1.N98 C Shift Assignments>> C :: 170.342 CA :: 59.592 CB :: 63.948 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.988 HA :: 4.509 HB2 :: 4.162 HB3 :: 4.013 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 :: 117.296 Ave N Shift Values>> N :: 116.28(3.52) 1.D117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 L 0.24 K 0.11 N 0.1 F 0.06 C 0.04 Y 0.04 R 0.03 C Shift Assignments>> C :: 174.981 CA :: 53.331 CB :: 41.632 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 :: 8.027 HA :: 4.833 HB2 :: 2.445 HB3 :: 2.445 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 :: 119.393 Ave N Shift Values>> N :: 120.65(3.86) 1.N118 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> D 0.38 N 0.21 L 0.19 K 0.05 C 0.05 F 0.04 Y 0.03 R 0.01 C Shift Assignments>> C :: 176.169 CA :: 52.074 CB :: 41.232 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 :: 8.634 HA :: 4.940 HB2 :: 2.096 HB3 :: 0.497(S) HD21 :: 6.644 HD22 :: 3.125(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 :: 121.127 ND2 :: 108.863 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) SRO Rule Breaks>> (HD22 > HA : 0.9966) 1.R119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 R 0.38 G 0.15 K 0.02 C Shift Assignments>> C :: 174.125 CA :: 56.668 CB :: 32.343 CG :: 27.030 CD :: 43.990 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 :: 6.943 HA :: 4.491 HB2 :: 1.850 HB3 :: 0.880 HG2 :: 1.352 HG3 :: 1.003 HD2 :: 2.769 HD3 :: 2.610 HE :: 6.846 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 :: 118.108 NE :: 84.506 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.W120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.64 W 0.35 C Shift Assignments>> C :: 173.109 CA :: 57.648 CB :: 33.071 CD1 :: 126.642 CE3 :: 120.207 CZ2 :: 113.862 CZ3 :: 123.752 CH2 :: 124.434 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 :: 8.511 HA :: 5.725 HB2 :: 3.894 HB3 :: 3.230 HD1 :: 7.078 HE1 :: 10.641 HE3 :: 7.874 HZ2 :: 7.267 HZ3 :: 7.085 HH2 :: 7.081 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 :: 113.700 NE1 :: 130.422 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.I121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 I 0.44 C Shift Assignments>> C :: 176.617 CA :: 59.430 CB :: 41.408 CG1 :: 28.127 CG2 :: 18.678 CD1 :: 14.425 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 :: 7.551 HA :: 5.338 HB :: 1.795 HG12 :: 1.617 HG13 :: 0.927 HG21 :: 1.019 HG22 :: 1.019 HG23 :: 1.019 HD11 :: 0.544 HD12 :: 0.544 HD13 :: 0.544 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 :: 117.255 Ave N Shift Values>> N :: 121.46(4.28) 1.C122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.56 D 0.22 C 0.07 L 0.05 F 0.04 Y 0.03 C Shift Assignments>> C :: 174.897 CA :: 51.576 CB :: 39.418 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.449 HA :: 6.004 HB2 :: 3.316 HB3 :: 2.478 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 :: 122.116 Ave N Shift Values>> N :: 120.17(4.64) 1.Q123 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.46 C 0.45 E 0.07 C Shift Assignments>> C :: 174.014 CA :: 53.829 CB :: 34.972 CG :: 33.284 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 :: 10.073 HA :: 6.227(S) HB2 :: 2.339 HB3 :: 1.889 HG2 :: 2.308 HG3 :: 2.254 HE21 :: 7.953 HE22 :: 6.982 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.635 NE2 :: 114.135 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.72 K 0.18 R 0.07 C Shift Assignments>> C :: 174.809 CA :: 55.403 CB :: 37.577 CG :: 24.517 CD :: 29.426 CE :: 41.635 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 :: 9.115 HA :: 4.839 HB2 :: 1.659 HB3 :: 1.411 HG2 :: 1.336 HG3 :: 1.308 HD2 :: 1.080 HD3 :: 0.922 HE2 :: 2.530 HE3 :: 2.530 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 :: 121.677 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 E 0.38 M 0.17 Q 0.01 I 0.01 K 0.01 C Shift Assignments>> C :: 176.057 CA :: 56.021 CB :: 31.152 CG :: 36.813 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 :: 8.695 HA :: 4.575 HB2 :: 2.042 HB3 :: 1.882 HG2 :: 2.239 HG3 :: 2.191 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 :: 122.487 Ave N Shift Values>> N :: 120.67(3.48) 1.L126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.61 C 0.28 R 0.05 G 0.02 A 0.01 C Shift Assignments>> C :: 176.479 CA :: 55.583 CB :: 42.625 CG :: 26.844 CD1 :: 25.100 CD2 :: 23.485 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 :: 8.332 HA :: 4.139 HB2 :: 1.388 HB3 :: 1.162 HG :: 1.276 HD11 :: 0.661 HD12 :: 0.661 HD13 :: 0.661 HD21 :: 0.587 HD22 :: 0.587 HD23 :: 0.587 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.898 Ave N Shift Values>> N :: 121.86(3.9) 1.Y127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.64 C 0.35 C Shift Assignments>> C :: 175.072 CA :: 57.486 CB :: 38.869 CD1 :: 133.303 CD2 :: 133.303 CE1 :: 118.286 CE2 :: 118.286 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 :: 8.028 HA :: 4.529 HB2 :: 2.998 HB3 :: 2.907 HD1 :: 7.077 HD2 :: 7.077 HE1 :: 6.804 HE2 :: 6.804 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 :: 118.052 Ave N Shift Values>> N :: 120.52(4.2) 1.H128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.37 W 0.35 C 0.26 C Shift Assignments>> C :: 174.487 CA :: 55.688 CB :: 30.515 CD2 :: 120.061 CE1 :: 137.418 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 :: 8.014 HA :: 4.584 HB2 :: 3.137 HB3 :: 3.050 HD2 :: 7.119 HE1 :: 8.197 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 :: 120.723 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.E129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.35 M 0.11 Q 0.05 K 0.05 I 0.02 HN Overlap>> 1.D107 1.D107 C Shift Assignments>> C :: 176.492 CA :: 56.817 CB :: 30.472 CG :: 36.272 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 :: 8.424 HA :: 4.284 HB2 :: 2.041 HB3 :: 1.948 HG2 :: 2.241 HG3 :: 2.241 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 :: 122.855 Ave N Shift Values>> N :: 120.67(3.48) 1.T130 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 :: 174.589 CA :: 62.205 CB :: 69.939 CG2 :: 21.704 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 :: 8.311 HA :: 4.339 HB :: 4.204 HG21 :: 1.221 HG22 :: 1.221 HG23 :: 1.221 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 :: 116.228 Ave N Shift Values>> N :: 115.42(4.75) 1.L131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.63 C 0.28 R 0.04 A 0.01 G 0.01 HN Overlap>> 1.L4 1.L4 C Shift Assignments>> C :: 177.438 CA :: 55.362 CB :: 42.356 CG :: 27.115 CD1 :: 24.876 CD2 :: 23.523 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 :: 8.294 HA :: 4.410 HB2 :: 1.634 HB3 :: 1.634 HG :: 1.625 HD11 :: 0.908 HD12 :: 0.908 HD13 :: 0.908 HD21 :: 0.862 HD22 :: 0.862 HD23 :: 0.862 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 :: 124.856 Ave N Shift Values>> N :: 121.86(3.9) 1.S132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.250 CA :: 58.571 CB :: 63.862 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.255 HA :: 4.397 HB2 :: 3.843 HB3 :: 3.811 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 :: 116.127 Ave N Shift Values>> N :: 116.28(3.52) 1.N133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.49 D 0.18 C 0.09 Y 0.07 F 0.07 L 0.05 HN Overlap>> 1.D99 1.V109 1.D99 1.V109 C Shift Assignments>> C :: 174.658 CA :: 53.339 CB :: 38.838 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 :: 8.293 HA :: 4.692 HB2 :: 2.750 HB3 :: 2.706 HD21 :: 7.504 HD22 :: 6.826 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 120.181 ND2 :: 112.282 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Y134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.63 C 0.36 HN Overlap>> 1.K60 1.E5 1.K60 1.E5 C Shift Assignments>> C :: 175.726 CA :: 58.149 CB :: 38.845 CD1 :: 133.261 CD2 :: 133.261 CE1 :: 118.681 CE2 :: 118.681 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 :: 8.067 HA :: 4.573 HB2 :: 2.997 HB3 :: 2.997 HD1 :: 7.178 HD2 :: 7.178 HE1 :: 6.875 HE2 :: 6.875 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 :: 120.605 Ave N Shift Values>> N :: 120.52(4.2) 1.V135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.68 C 0.31 C Shift Assignments>> C :: 176.130 CA :: 62.546 CB :: 32.778 CG1 :: 20.464 CG2 :: 21.116 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 :: 7.952 HA :: 4.047 HB :: 2.009 HG11 :: 0.884 HG12 :: 0.884 HG13 :: 0.884 HG21 :: 0.865 HG22 :: 0.865 HG23 :: 0.865 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 :: 122.466 Ave N Shift Values>> N :: 121.14(4.54) 1.G136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 L 0.1 C 0.03 R 0.01 F 0.01 C Shift Assignments>> C :: 173.652 CA :: 45.218 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.915 HA2 :: 3.908 HA3 :: 3.798 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.336 Ave N Shift Values>> N :: 109.67(3.87) 1.Y137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.62 C 0.37 C Shift Assignments>> C :: 176.375 CA :: 58.168 CB :: 38.925 CD1 :: 133.494 CD2 :: 133.494 CE1 :: 118.664 CE2 :: 118.664 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 :: 7.994 HA :: 4.564 HB2 :: 3.060 HB3 :: 2.937 HD1 :: 7.217 HD2 :: 7.217 HE1 :: 6.925 HE2 :: 6.925 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 :: 119.801 Ave N Shift Values>> N :: 120.52(4.2) 1.G138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.08 C 0.02 R 0.01 C Shift Assignments>> C :: 173.159 CA :: 45.375 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.345 HA2 :: 3.894 HA3 :: 3.798 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.979 Ave N Shift Values>> N :: 109.67(3.87) 1.H139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.35 H 0.33 C 0.31 C Shift Assignments>> C :: 179.188 CA :: 57.071 CB :: 30.547 CE1 :: 138.934 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 :: 7.759 HA :: 4.478 HB2 :: 3.241 HB3 :: 3.058 HE1 :: 7.896 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 :: 123.460 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) ########################################################################### Overall Results: #Consistent: 128 #Clerical: 0 #Suspicious: 11 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 138 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 1 Shift Relative Order (SRO) Results: #Consistent: 137 #Suspicious: 2 C Shift Results: #Consistent: 621 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent: 951 #Duplicate: 0 #Unknown: 0 #Suspicious: 16 #Anomalous: 0 N Shift Results: #Consistent: 157 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.P7 HG3 = 0.552(S), Expected = 1.90, Std = 0.3300, ChiSquare = 4.4106e-05 1.H19 HB2 = 1.252(S), Expected = 3.10, Std = 0.3600, ChiSquare = 2.8466e-07 1.H19 HB3 = 0.152(S), Expected = 3.04, Std = 0.3800, ChiSquare = 2.9613e-14 1.S21 HB3 = 2.303(S), Expected = 3.85, Std = 0.2700, ChiSquare = 1.0065e-08 1.W27 HA = 2.617(S), Expected = 4.68, Std = 0.5300, ChiSquare = 9.9236e-05 1.W27 HB3 = 1.292(S), Expected = 3.12, Std = 0.3600, ChiSquare = 3.8187e-07 1.W27 SRO Rule Break>> HA > HB2 : 0.994219653179191 1.G30 HA2 = 2.041(S), Expected = 3.97, Std = 0.3700, ChiSquare = 1.8530e-07 1.G30 HA3 = 1.288(S), Expected = 3.90, Std = 0.3700, ChiSquare = 1.6715e-12 1.I44 H = 5.273(S), Expected = 8.28, Std = 0.6800, ChiSquare = 9.7765e-06 1.G67 CA = 49.995(S), Expected = 45.35, Std = 1.3400, ChiSquare = 5.2744e-04 1.R69 HD3 = 1.931(S), Expected = 3.10, Std = 0.2600, ChiSquare = 6.9194e-06 1.Y70 HB3 = 0.467(S), Expected = 2.84, Std = 0.3900, ChiSquare = 1.1677e-09 1.Y70 HD1 = 5.700(S), Expected = 6.93, Std = 0.3000, ChiSquare = 4.1315e-05 1.Y70 HD2 = 5.700(S), Expected = 6.93, Std = 0.3000, ChiSquare = 4.1315e-05 1.N118 HB3 = 0.497(S), Expected = 2.75, Std = 0.3300, ChiSquare = 8.6544e-12 1.N118 HD22 = 3.125(S), Expected = 7.14, Std = 0.4900, ChiSquare = 2.5294e-16 1.N118 SRO Rule Break>> HD22 > HA : 0.996558505408063 1.Q123 HA = 6.227(S), Expected = 4.27, Std = 0.4400, ChiSquare = 8.6784e-06