Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S6 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.84 L 0.09 R 0.03 C Shift Assignments>> C :: 174.074 CA :: 45.326 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> HA2 :: 3.921 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) 1.Q8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.35 K 0.3 E 0.14 M 0.12 R 0.05 C Shift Assignments>> C :: 176.011 CA :: 55.668 CB :: 29.525 CG :: 33.764 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.174 HA :: 4.276 HB2 :: 1.937 HB3 :: 2.068 HG2 :: 2.304 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 119.861 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.K9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.64 R 0.27 M 0.06 G 0.01 HN Overlap>> 1.K10 1.K10 C Shift Assignments>> C :: 176.496 CA :: 56.001 CB :: 32.931 CG :: 24.686 CD :: 29.184 CE :: 42.176 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.390 HA :: 4.268 HB2 :: 1.764 HB3 :: 1.764 HG2 :: 1.389 HG3 :: 1.389 HD2 :: 1.657 HD3 :: 1.657 HE2 :: 2.950 HE3 :: 2.950 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 123.239 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.64 R 0.28 M 0.05 G 0.01 HN Overlap>> 1.K9 1.K9 C Shift Assignments>> C :: 176.008 CA :: 56.202 CB :: 33.004 CG :: 24.686 CD :: 29.100 CE :: 42.176 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.403 HA :: 4.314 HB2 :: 1.760 HB3 :: 1.825 HG2 :: 1.397 HG3 :: 1.397 HD2 :: 1.666 HD3 :: 1.666 HE2 :: 2.950 HE3 :: 2.950 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 123.239 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.D11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.22 K 0.14 N 0.1 F 0.08 Y 0.07 R 0.04 C Shift Assignments>> C :: 176.728 CA :: 54.148 CB :: 41.252 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.410 HA :: 4.656 HB2 :: 2.749 HB3 :: 2.642 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 122.182 Ave N Shift Values>> N :: 120.73(4.2) 1.T12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.577 CA :: 61.238 CB :: 69.258 CG2 :: 21.521 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.202 HA :: 3.955 HB :: 4.309 HG21 :: 1.077 HG22 :: 1.077 HG23 :: 1.077 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 114.805 Ave N Shift Values>> N :: 115.7(5.05) 1.S13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.502 CA :: 60.175 CB :: 63.365 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.324 HA :: 4.208 HB2 :: 3.797 HB3 :: 3.797 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 118.750 Ave N Shift Values>> N :: 116.3(3.95) 1.N14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.56 D 0.21 Y 0.08 F 0.07 L 0.03 E 0.01 C Shift Assignments>> C :: 174.107 CA :: 52.889 CB :: 38.733 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.233 HA :: 4.695 HB2 :: 2.738 HB3 :: 2.601 HD21 :: 6.836 HD22 :: 7.504 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 119.368 ND2 :: 113.189 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.H15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.71 W 0.28 C Shift Assignments>> C :: 172.182 CA :: 53.820 CB :: 32.258 CD2 :: 116.166 CE1 :: 138.313 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 7.398 HA :: 4.553 HB2 :: 2.817 HB3 :: 2.614 HD2 :: 6.708 HE1 :: 7.358 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 119.184 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.F16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 HN Overlap>> 1.S110 1.S110 C Shift Assignments>> C :: 175.055 CA :: 58.534 CB :: 40.798 CD1 :: 131.708 CD2 :: 131.708 CE1 :: 131.677 CE2 :: 131.677 CZ :: 130.144 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.388 HA :: 4.540 HB2 :: 3.136 HB3 :: 2.757 HD1 :: 7.090 HD2 :: 7.090 HE1 :: 7.406 HE2 :: 7.406 HZ :: 7.356 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 117.473 Ave N Shift Values>> N :: 120.69(4.18) 1.H17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.52 H 0.47 C Shift Assignments>> C :: 174.188 CA :: 56.644 CB :: 33.248 CD2 :: 119.720 CE1 :: 138.858 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.860 HA :: 5.155 HB2 :: 3.290 HB3 :: 2.738 HD2 :: 6.976 HE1 :: 7.605 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 124.310 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.V18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.356 CA :: 62.291 CB :: 34.237 CG1 :: 21.917 CG2 :: 20.973 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.808 HA :: 4.366 HB :: 2.305 HG11 :: 0.922 HG12 :: 0.922 HG13 :: 0.922 HG21 :: 0.696 HG22 :: 0.696 HG23 :: 0.696 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 126.484 Ave N Shift Values>> N :: 121.02(4.96) 1.F19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> C :: 172.729 CA :: 57.279 CB :: 40.898 CD1 :: 132.119 CD2 :: 132.119 CE1 :: 129.304 CE2 :: 129.304 CZ :: 130.908 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 9.155 HA :: 4.676 HB2 :: 2.941 HB3 :: 2.736 HD1 :: 6.909 HD2 :: 6.909 HE1 :: 6.956 HE2 :: 6.956 HZ :: 6.822 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 127.982 Ave N Shift Values>> N :: 120.69(4.18) 1.V20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 173.507 CA :: 59.691 CB :: 32.809 CG1 :: 22.796 CG2 :: 21.521 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.810 HA :: 4.504 HB :: 1.376 HG11 :: 0.726 HG12 :: 0.726 HG13 :: 0.726 HG21 :: 0.413 HG22 :: 0.413 HG23 :: 0.413 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 126.990 Ave N Shift Values>> N :: 121.02(4.96) 1.G21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.39 L 0.3 G 0.11 D 0.05 F 0.04 K 0.04 Y 0.02 I 0.01 C Shift Assignments>> C :: 172.293 CA :: 43.531 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.807 HA2 :: 4.536 HA3 :: 3.378 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.299 Ave N Shift Values>> N :: 109.91(4.29) 1.D22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.24 F 0.2 N 0.2 D 0.19 L 0.06 E 0.03 I 0.03 HN Overlap>> 1.G79 1.G79 C Shift Assignments>> C :: 173.942 CA :: 55.582 CB :: 38.950 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.411 HA :: 4.187 HB2 :: 2.927 HB3 :: 3.058 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 115.446 Ave N Shift Values>> N :: 120.73(4.2) 1.L23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.71 G 0.1 R 0.1 A 0.07 C Shift Assignments>> C :: 178.329 CA :: 53.126 CB :: 42.904 CG :: 26.557 CD1 :: 23.264 CD2 :: 26.354 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.632 HA :: 4.299 HB2 :: 1.128 HB3 :: 1.057 HG :: 1.250 HD11 :: 0.597 HD12 :: 0.597 HD13 :: 0.597 HD21 :: 0.413 HD22 :: 0.413 HD23 :: 0.413 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 112.356 Ave N Shift Values>> N :: 121.98(4.07) 1.S24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.697 CA :: 56.931 CB :: 63.139 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.908 HA :: 4.438 HB2 :: 4.142 HB3 :: 3.989 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 120.847 Ave N Shift Values>> N :: 116.3(3.95) 1.P25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 176.236 CA :: 65.616 CB :: 32.092 CG :: 27.517 CD :: 51.190 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.230 HB2 :: 2.447 HB3 :: 2.018 HG2 :: 2.122 HG3 :: 2.075 HD2 :: 3.872 HD3 :: 3.926 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.E26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.49 K 0.22 Q 0.12 I 0.09 M 0.04 C Shift Assignments>> C :: 176.769 CA :: 56.684 CB :: 28.945 CG :: 35.972 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.973 HA :: 4.340 HB2 :: 2.099 HB3 :: 1.978 HG2 :: 2.347 HG3 :: 2.220 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 116.038 Ave N Shift Values>> N :: 120.68(3.68) 1.I27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.89 M 0.05 A 0.04 C Shift Assignments>> C :: 177.082 CA :: 59.428 CB :: 35.168 CG1 :: 27.137 CG2 :: 18.440 CD1 :: 9.621 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.367 HA :: 4.300 HB :: 2.142 HG12 :: 1.371 HG13 :: 1.603 HG21 :: 0.913 HG22 :: 0.913 HG23 :: 0.913 HD11 :: 0.696 HD12 :: 0.696 HD13 :: 0.696 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 121.687 Ave N Shift Values>> N :: 121.6(4.72) 1.T28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 176.279 CA :: 60.094 CB :: 73.457 CG2 :: 21.688 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 9.421 HA :: 4.736 HB :: 4.741 HG21 :: 1.361 HG22 :: 1.361 HG23 :: 1.361 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 121.173 Ave N Shift Values>> N :: 115.7(5.05) 1.T29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.343 CA :: 67.106 CB :: 69.012 CG2 :: 23.432 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 9.035 HA :: 3.570 HB :: 4.172 HG21 :: 1.153 HG22 :: 1.153 HG23 :: 1.153 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 118.426 Ave N Shift Values>> N :: 115.7(5.05) 1.E30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.68 E 0.26 K 0.03 C Shift Assignments>> C :: 179.196 CA :: 60.557 CB :: 28.526 CG :: 37.179 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.429 HA :: 3.874 HB2 :: 1.998 HB3 :: 1.998 HG2 :: 2.455 HG3 :: 2.296 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.924 Ave N Shift Values>> N :: 120.68(3.68) 1.D31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.25 F 0.18 L 0.17 Y 0.14 R 0.1 D 0.08 I 0.03 C Shift Assignments>> C :: 179.878 CA :: 57.433 CB :: 41.621 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.716 HA :: 4.456 HB2 :: 3.252 HB3 :: 2.583 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.092 Ave N Shift Values>> N :: 120.73(4.2) 1.I32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 177.514 CA :: 64.275 CB :: 37.125 CG1 :: 27.596 CG2 :: 18.273 CD1 :: 12.506 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.904 HA :: 4.043 HB :: 1.851 HG12 :: 1.260 HG13 :: 1.260 HG21 :: 0.695 HG22 :: 0.695 HG23 :: 0.695 HD11 :: 0.505 HD12 :: 0.505 HD13 :: 0.505 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 118.194 Ave N Shift Values>> N :: 121.6(4.72) 1.K33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.54 K 0.42 G 0.02 HN Overlap>> 1.K100 1.K100 C Shift Assignments>> C :: 177.820 CA :: 61.017 CB :: 32.270 CG :: 26.893 CD :: 29.683 CE :: 41.926 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.307 HA :: 3.739 HB2 :: 1.908 HB3 :: 1.767 HG2 :: 1.504 HG3 :: 1.225 HD2 :: 1.663 HD3 :: 1.663 HE2 :: 2.791 HE3 :: 2.865 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 121.645 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.A34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.52 A 0.43 I 0.02 C Shift Assignments>> C :: 180.322 CA :: 54.804 CB :: 18.164 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.763 HA :: 4.169 HB1 :: 1.533 HB2 :: 1.533 HB3 :: 1.533 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 118.259 Ave N Shift Values>> N :: 123.23(3.7) 1.A35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.61 M 0.35 C Shift Assignments>> C :: 177.786 CA :: 53.898 CB :: 19.050 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.845 HA :: 4.199 HB1 :: 1.477 HB2 :: 1.477 HB3 :: 1.477 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 117.995 Ave N Shift Values>> N :: 123.23(3.7) 1.F36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> C :: 175.387 CA :: 59.609 CB :: 40.385 CD1 :: 131.976 CD2 :: 131.976 CE1 :: 130.026 CE2 :: 130.026 CZ :: 129.185 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.994 HA :: 4.854 HB2 :: 3.387 HB3 :: 3.091 HD1 :: 7.733 HD2 :: 7.733 HE1 :: 6.838 HE2 :: 6.838 HZ :: 6.774 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 112.030 Ave N Shift Values>> N :: 120.69(4.18) 1.A37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.73 A 0.18 I 0.07 C Shift Assignments>> C :: 176.367 CA :: 55.668 CB :: 16.788 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.045 HA :: 4.557 HB1 :: 1.595 HB2 :: 1.595 HB3 :: 1.595 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.047 Ave N Shift Values>> N :: 123.23(3.7) 1.P38 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.98 S 0.01 C Shift Assignments>> C :: 177.362 CA :: 65.185 CB :: 31.276 CG :: 28.018 CD :: 51.837 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.155 HB2 :: 2.009 HB3 :: 0.525(S) HG2 :: 1.720 HG3 :: 1.720 HD2 :: 3.102 HD3 :: 3.682 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.F39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> C :: 174.496 CA :: 59.593 CB :: 39.051 CD1 :: 130.894 CD2 :: 130.894 CE1 :: 131.907 CE2 :: 131.907 CZ :: 129.311 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.719 HA :: 4.257 HB2 :: 3.321 HB3 :: 3.020 HD1 :: 7.388 HD2 :: 7.388 HE1 :: 7.256 HE2 :: 7.256 HZ :: 7.049 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 112.601 Ave N Shift Values>> N :: 120.69(4.18) 1.G40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.46 L 0.24 R 0.2 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 171.591 CA :: 44.412 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.622 HA2 :: 4.808 HA3 :: 3.873 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 104.629 Ave N Shift Values>> N :: 109.91(4.29) 1.R41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.66 K 0.2 G 0.13 HN Overlap>> 1.S101 1.S101 C Shift Assignments>> C :: 177.002 CA :: 57.806 CB :: 30.998 CG :: 27.674 CD :: 43.509 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.256 HA :: 4.327 HB2 :: 1.956 HB3 :: 1.956 HG2 :: 1.656 HG3 :: 1.855 HD2 :: 2.961 HD3 :: 3.106 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 117.026 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.I42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 176.706 CA :: 60.488 CB :: 40.887 CG1 :: 27.868 CG2 :: 17.438 CD1 :: 14.359 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.513 HA :: 4.247 HB :: 1.605 HG12 :: 1.754 HG13 :: 0.211 HG21 :: 0.599 HG22 :: 0.599 HG23 :: 0.599 HD11 :: 0.690 HD12 :: 0.690 HD13 :: 0.690 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 128.046 Ave N Shift Values>> N :: 121.6(4.72) 1.S43 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.628 CA :: 58.011 CB :: 63.215 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.853 HA :: 4.210 HB2 :: 2.986 HB3 :: 2.060(S) Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 123.312 Ave N Shift Values>> N :: 116.3(3.95) 1.D44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.35 R 0.23 G 0.2 D 0.11 K 0.03 F 0.02 Y 0.02 N 0.01 C Shift Assignments>> C :: 172.702 CA :: 53.690 CB :: 43.814 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.291 HA :: 4.661 HB2 :: 2.752 HB3 :: 2.266 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 119.599 Ave N Shift Values>> N :: 120.73(4.2) 1.A45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.43 A 0.34 M 0.15 K 0.04 C Shift Assignments>> C :: 175.242 CA :: 51.736 CB :: 22.543 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.990 HA :: 4.946 HB1 :: 1.221 HB2 :: 1.221 HB3 :: 1.221 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.427 Ave N Shift Values>> N :: 123.23(3.7) 1.R46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.57 K 0.27 G 0.14 C Shift Assignments>> C :: 174.368 CA :: 55.894 CB :: 32.868 CG :: 26.505 CD :: 43.425 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.658 HA :: 4.679 HB2 :: 1.854 HB3 :: 1.672 HG2 :: 1.492 HG3 :: 1.416 HD2 :: 3.169 HD3 :: 3.169 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 115.616 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.V47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.892 CA :: 63.046 CB :: 33.075 CG1 :: 22.771 CG2 :: 20.706 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.653 HA :: 3.879 HB :: 1.710 HG11 :: 0.598 HG12 :: 0.598 HG13 :: 0.598 HG21 :: 0.725 HG22 :: 0.725 HG23 :: 0.725 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 123.653 Ave N Shift Values>> N :: 121.02(4.96) 1.V48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 173.982 CA :: 64.305 CB :: 30.668 CG1 :: 22.521 CG2 :: 21.272 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.465 HA :: 3.654 HB :: 1.039 HG11 :: 0.881 HG12 :: 0.881 HG13 :: 0.881 HG21 :: 0.806 HG22 :: 0.806 HG23 :: 0.806 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 130.505 Ave N Shift Values>> N :: 121.02(4.96) 1.K49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.66 R 0.27 M 0.03 G 0.02 C Shift Assignments>> C :: 175.861 CA :: 53.905 CB :: 35.544 CG :: 24.686 CD :: 29.184 CE :: 42.093 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.123 HA :: 4.752 HB2 :: 1.493 HB3 :: 1.343 HG2 :: 1.092 HG3 :: 1.320 HD2 :: 1.549 HD3 :: 1.549 HE2 :: 2.932 HE3 :: 2.932 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 125.202 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.D50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.32 D 0.21 R 0.18 K 0.11 F 0.04 N 0.03 Y 0.03 G 0.03 C Shift Assignments>> C :: 177.414 CA :: 53.725 CB :: 42.689 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.668 HA :: 4.535 HB2 :: 3.078 HB3 :: 2.424 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 121.918 Ave N Shift Values>> N :: 120.73(4.2) 1.M51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.93 A 0.06 C Shift Assignments>> C :: 177.419 CA :: 57.378 CB :: 31.677 CG :: 32.238 CE :: 16.800 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 9.019 HA :: 4.235 HB2 :: 2.121 HB3 :: 2.121 HG2 :: 2.746 HG3 :: 2.610 HE1 :: 2.112 HE2 :: 2.112 HE3 :: 2.112 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 127.036 Ave N Shift Values>> N :: 120.1(3.88) 1.A52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.54 M 0.41 L 0.01 I 0.01 V 0.01 C Shift Assignments>> C :: 179.656 CA :: 54.397 CB :: 19.306 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.571 HA :: 4.358 HB1 :: 1.532 HB2 :: 1.532 HB3 :: 1.532 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.755 Ave N Shift Values>> N :: 123.23(3.7) 1.T53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 176.579 CA :: 61.465 CB :: 71.431 CG2 :: 21.131 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.780 HA :: 4.452 HB :: 4.334 HG21 :: 1.215 HG22 :: 1.215 HG23 :: 1.215 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 104.905 Ave N Shift Values>> N :: 115.7(5.05) 1.G54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.89 L 0.07 R 0.01 C Shift Assignments>> C :: 173.614 CA :: 45.793 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.440 HA2 :: 4.203 HA3 :: 3.765 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.364 Ave N Shift Values>> N :: 109.91(4.29) 1.K55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.66 R 0.27 M 0.03 G 0.01 C Shift Assignments>> C :: 176.356 CA :: 55.665 CB :: 33.743 CG :: 24.936 CD :: 29.100 CE :: 42.093 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.720 HA :: 4.311 HB2 :: 1.851 HB3 :: 1.688 HG2 :: 1.424 HG3 :: 1.424 HD2 :: 1.670 HD3 :: 1.670 HE2 :: 2.997 HE3 :: 2.997 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 119.196 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 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 :: 177.161 CA :: 58.442 CB :: 64.022 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.763 HA :: 4.246 HB2 :: 3.736 HB3 :: 4.088 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.359 Ave N Shift Values>> N :: 116.3(3.95) 1.K57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.59 R 0.37 M 0.02 C Shift Assignments>> C :: 177.349 CA :: 56.559 CB :: 32.455 CG :: 26.083 CD :: 29.056 CE :: 41.843 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 9.305 HA :: 4.397 HB2 :: 2.043 HB3 :: 1.165 HG2 :: 1.368 HG3 :: 1.368 HD2 :: 1.713 HD3 :: 1.663 HE2 :: 3.029 HE3 :: 3.029 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 125.906 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.G58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.89 L 0.07 R 0.01 C Shift Assignments>> C :: 172.727 CA :: 45.874 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.249 HA2 :: 4.214 HA3 :: 3.626 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.172 Ave N Shift Values>> N :: 109.91(4.29) 1.Y59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 172.212 CA :: 55.186 CB :: 40.468 CD1 :: 133.992 CD2 :: 133.992 CE1 :: 117.944 CE2 :: 117.944 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 7.096 HA :: 5.055 HB2 :: 3.134 HB3 :: 2.804 HD1 :: 6.681 HD2 :: 6.681 HE1 :: 6.837 HE2 :: 6.837 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 112.882 Ave N Shift Values>> N :: 120.79(4.69) 1.G60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.84 L 0.09 R 0.03 C Shift Assignments>> C :: 179.440 CA :: 45.292 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.843 HA2 :: 4.096 HA3 :: 3.802 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.295 Ave N Shift Values>> N :: 109.91(4.29) 1.F61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.64 F 0.35 C Shift Assignments>> C :: 174.521 CA :: 55.859 CB :: 44.643 CD1 :: 131.612 CD2 :: 131.612 CE1 :: 131.397 CE2 :: 131.397 CZ :: 129.516 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.477 HA :: 5.806 HB2 :: 2.990 HB3 :: 2.534 HD1 :: 7.000 HD2 :: 7.000 HE1 :: 7.480 HE2 :: 7.480 HZ :: 7.480 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 113.800 Ave N Shift Values>> N :: 120.69(4.18) 1.V62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.98 I 0.01 C Shift Assignments>> C :: 173.690 CA :: 61.354 CB :: 34.892 CG1 :: 22.188 CG2 :: 20.837 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.975 HA :: 4.287 HB :: 1.326 HG11 :: 0.270 HG12 :: 0.270 HG13 :: 0.270 HG21 :: 0.153 HG22 :: 0.153 HG23 :: 0.153 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 119.925 Ave N Shift Values>> N :: 121.02(4.96) 1.S63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.763 CA :: 57.453 CB :: 64.156 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.781 HA :: 5.525 HB2 :: 3.454 HB3 :: 3.454 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 122.342 Ave N Shift Values>> N :: 116.3(3.95) 1.F64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.94 G 0.05 C Shift Assignments>> C :: 175.760 CA :: 57.048 CB :: 42.575 CD1 :: 131.928 CD2 :: 131.928 CE1 :: 130.977 CE2 :: 130.977 CZ :: 129.125 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 9.269 HA :: 5.023 HB2 :: 2.798 HB3 :: 3.885 HD1 :: 7.223 HD2 :: 7.223 HE1 :: 7.060 HE2 :: 7.060 HZ :: 7.372 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 121.974 Ave N Shift Values>> N :: 120.69(4.18) 1.F65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> C :: 175.877 CA :: 61.424 CB :: 40.097 CD1 :: 131.640 CD2 :: 131.640 CE1 :: 131.430 CE2 :: 131.430 CZ :: 129.808 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.742 HA :: 3.954 HB2 :: 3.163 HB3 :: 2.954 HD1 :: 7.160 HD2 :: 7.160 HE1 :: 7.237 HE2 :: 7.237 HZ :: 7.324 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 117.919 Ave N Shift Values>> N :: 120.69(4.18) 1.N66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.39 N 0.31 L 0.13 F 0.05 K 0.04 Y 0.04 R 0.01 C Shift Assignments>> C :: 174.797 CA :: 51.736 CB :: 40.796 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.660 HA :: 5.004 HB2 :: 2.539 HB3 :: 2.140 HD21 :: 7.061 HD22 :: 7.624 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 114.192 ND2 :: 114.481 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.K67 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.7 R 0.25 M 0.02 G 0.01 C Shift Assignments>> C :: 177.129 CA :: 60.196 CB :: 32.205 CG :: 25.078 CD :: 29.350 CE :: 42.010 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.177 HA :: 2.870 HB2 :: 0.900(S) HB3 :: 0.398(S) HG2 :: 0.826 HG3 :: 1.091 HD2 :: 1.319 HD3 :: 1.319 HE2 :: 2.586 HE3 :: 2.657 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 126.632 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.W68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.92 H 0.07 C Shift Assignments>> C :: 177.882 CA :: 59.386 CB :: 27.882 CD1 :: 128.266 CE3 :: 120.815 CZ2 :: 114.693 CZ3 :: 122.418 CH2 :: 124.737 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 7.591 HA :: 4.473 HB2 :: 3.284 HB3 :: 3.346 HD1 :: 7.346 HE1 :: 10.204 HE3 :: 7.756 HZ2 :: 7.497 HZ3 :: 7.228 HH2 :: 7.254 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 116.640 NE1 :: 130.153 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.D69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.23 Y 0.2 L 0.15 K 0.14 D 0.14 I 0.04 N 0.03 R 0.02 C Shift Assignments>> C :: 176.492 CA :: 56.892 CB :: 40.674 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 6.919 HA :: 4.387 HB2 :: 2.627 HB3 :: 2.686 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 121.269 Ave N Shift Values>> N :: 120.73(4.2) 1.A70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.52 M 0.43 L 0.01 I 0.01 V 0.01 C Shift Assignments>> C :: 177.961 CA :: 54.502 CB :: 19.270 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 6.618 HA :: 2.982 HB1 :: 1.316 HB2 :: 1.316 HB3 :: 1.316 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.710 Ave N Shift Values>> N :: 123.23(3.7) 1.E71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.5 I 0.4 M 0.04 K 0.04 C Shift Assignments>> C :: 178.966 CA :: 59.734 CB :: 30.142 CG :: 37.012 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.324 HA :: 3.488 HB2 :: 2.263 HB3 :: 2.073 HG2 :: 2.455 HG3 :: 2.365 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 117.148 Ave N Shift Values>> N :: 120.68(3.68) 1.N72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.26 F 0.19 N 0.19 D 0.12 E 0.09 I 0.04 L 0.03 M 0.02 C Shift Assignments>> C :: 176.298 CA :: 55.770 CB :: 38.320 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.942 HA :: 4.302 HB2 :: 2.733 HB3 :: 2.672 HD21 :: 6.745 HD22 :: 8.022 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 117.921 ND2 :: 113.509 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.A73 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.5 A 0.44 I 0.02 V 0.01 L 0.01 HN Overlap>> 1.Q86 1.Q86 C Shift Assignments>> C :: 179.391 CA :: 54.980 CB :: 19.110 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.894 HA :: 2.430(S) HB1 :: 1.200 HB2 :: 1.200 HB3 :: 1.200 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.657 Ave N Shift Values>> N :: 123.23(3.7) 1.I74 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 179.084 CA :: 66.483 CB :: 38.333 CG1 :: 32.023 CG2 :: 16.858 CD1 :: 11.194 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.100 HA :: 3.012 HB :: 1.454 HG12 :: 1.410 HG13 :: 0.176 HG21 :: 0.559 HG22 :: 0.559 HG23 :: 0.559 HD11 :: -0.659(S) HD12 :: -0.659(S) HD13 :: -0.659(S) Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 116.550 Ave N Shift Values>> N :: 121.6(4.72) 1.Q75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.34 Q 0.33 E 0.13 R 0.1 M 0.05 I 0.02 C Shift Assignments>> C :: 178.500 CA :: 58.465 CB :: 28.778 CG :: 33.546 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.650 HA :: 3.924 HB2 :: 2.148 HB3 :: 2.116 HG2 :: 2.419 HG3 :: 2.454 HE21 :: 6.883 HE22 :: 7.648 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 117.099 NE2 :: 112.983 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.Q76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.33 K 0.31 E 0.2 M 0.07 R 0.05 I 0.02 C Shift Assignments>> C :: 178.303 CA :: 57.516 CB :: 29.193 CG :: 34.034 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.434 HA :: 4.125 HB2 :: 2.021 HB3 :: 1.502 HG2 :: 2.460 HG3 :: 2.429 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 114.704 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.M77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.67 A 0.31 C Shift Assignments>> C :: 177.439 CA :: 53.607 CB :: 30.650 CG :: 33.500 CE :: 15.777 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 7.704 HA :: 4.733 HB2 :: 1.984 HB3 :: 1.587 HG2 :: 1.338 HG3 :: 1.688 HE1 :: 1.494 HE2 :: 1.494 HE3 :: 1.494 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 113.099 Ave N Shift Values>> N :: 120.1(3.88) 1.G78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.68 A 0.14 N 0.07 G 0.03 D 0.02 C Shift Assignments>> C :: 175.546 CA :: 48.950 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.059 HA2 :: 3.691 HA3 :: 3.845 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.985 Ave N Shift Values>> N :: 109.91(4.29) 1.G79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.07 R 0.01 HN Overlap>> 1.D22 1.D22 C Shift Assignments>> C :: 174.455 CA :: 45.757 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.473 HA2 :: 4.192 HA3 :: 3.626 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 115.374 Ave N Shift Values>> N :: 109.91(4.29) 1.Q80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.35 K 0.31 E 0.22 M 0.04 R 0.04 I 0.01 C Shift Assignments>> C :: 175.007 CA :: 55.290 CB :: 28.709 CG :: 34.604 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.627 HA :: 4.324 HB2 :: 2.188 HB3 :: 1.975 HG2 :: 2.292 HG3 :: 2.786 HE21 :: 6.991 HE22 :: 7.563 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 119.029 NE2 :: 114.727 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.W81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.92 H 0.07 C Shift Assignments>> C :: 176.536 CA :: 57.641 CB :: 29.074 CD1 :: 127.213 CE3 :: 119.726 CZ2 :: 114.738 CZ3 :: 121.870 CH2 :: 124.584 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 8.636 HA :: 4.505 HB2 :: 3.095 HB3 :: 3.031 HD1 :: 7.353 HE1 :: 10.154 HE3 :: 7.209 HZ2 :: 7.401 HZ3 :: 7.046 HH2 :: 7.193 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 120.979 NE1 :: 129.536 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.L82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 G 0.27 R 0.12 C Shift Assignments>> C :: 176.712 CA :: 54.813 CB :: 44.114 CG :: 27.549 CD1 :: 24.456 CD2 :: 25.283 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.609 HA :: 4.688 HB2 :: 1.707 HB3 :: 1.387 HG :: 1.508 HD11 :: 0.864 HD12 :: 0.864 HD13 :: 0.864 HD21 :: 0.795 HD22 :: 0.795 HD23 :: 0.795 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 125.881 Ave N Shift Values>> N :: 121.98(4.07) 1.G83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.9 L 0.04 A 0.02 P 0.01 C Shift Assignments>> C :: 175.658 CA :: 47.245 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.331 HA2 :: 3.858 HA3 :: 3.858 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 115.425 Ave N Shift Values>> N :: 109.91(4.29) 1.G84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.89 L 0.07 R 0.01 C Shift Assignments>> C :: 173.687 CA :: 45.832 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.756 HA2 :: 4.156 HA3 :: 4.020 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.647 Ave N Shift Values>> N :: 109.91(4.29) 1.R85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.45 K 0.31 G 0.23 C Shift Assignments>> C :: 173.689 CA :: 55.058 CB :: 34.148 CG :: 26.852 CD :: 43.365 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.644 HA :: 4.703 HB2 :: 1.951 HB3 :: 1.788 HG2 :: 1.622 HG3 :: 1.723 HD2 :: 3.023 HD3 :: 3.080 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 118.515 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.Q86 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Q 0.35 K 0.31 M 0.16 E 0.09 R 0.06 HN Overlap>> 1.A73 1.A73 C Shift Assignments>> C :: 176.124 CA :: 55.105 CB :: 29.736 CG :: 33.348 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.822 HA :: 3.956 HB2 :: 1.184 HB3 :: 0.958(S) HG2 :: 0.801(S) HG3 :: 0.351(S) HE21 :: 6.763 HE22 :: 7.451 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 121.709 NE2 :: 112.313 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.I87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 176.067 CA :: 61.069 CB :: 39.996 CG1 :: 24.907 CG2 :: 19.939 CD1 :: 14.665 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.176 HA :: 4.650 HB :: 2.059 HG12 :: 1.370 HG13 :: 1.370 HG21 :: 0.908 HG22 :: 0.908 HG23 :: 0.908 HD11 :: 0.754 HD12 :: 0.754 HD13 :: 0.754 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 118.136 Ave N Shift Values>> N :: 121.6(4.72) 1.R88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.48 G 0.26 K 0.25 C Shift Assignments>> C :: 175.180 CA :: 53.876 CB :: 33.521 CG :: 27.268 CD :: 43.509 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.937 HA :: 4.956 HB2 :: 1.752 HB3 :: 1.603 HG2 :: 1.499 HG3 :: 1.577 HD2 :: 3.204 HD3 :: 3.204 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 119.712 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.T89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 A 0.01 C Shift Assignments>> C :: 174.170 CA :: 58.361 CB :: 71.376 CG2 :: 23.288 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.432 HA :: 5.662 HB :: 3.934 HG21 :: 1.069 HG22 :: 1.069 HG23 :: 1.069 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 110.638 Ave N Shift Values>> N :: 115.7(5.05) 1.N90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.27 K 0.11 N 0.09 R 0.09 F 0.04 Y 0.03 G 0.01 C Shift Assignments>> C :: 174.253 CA :: 52.670 CB :: 42.113 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.649 HA :: 4.695 HB2 :: 2.973 HB3 :: 2.908 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 114.907 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.W91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.94 H 0.05 C Shift Assignments>> C :: 177.330 CA :: 58.417 CB :: 30.350 CD1 :: 127.415 CE3 :: 121.685 CZ2 :: 114.086 CZ3 :: 121.331 CH2 :: 123.806 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 8.781 HA :: 4.884 HB2 :: 3.065 HB3 :: 3.509 HD1 :: 7.412 HE1 :: 10.362 HE3 :: 8.084 HZ2 :: 7.439 HZ3 :: 7.059 HH2 :: 7.166 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 122.030 NE1 :: 129.256 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.A92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.78 M 0.19 L 0.01 C Shift Assignments>> C :: 177.525 CA :: 52.379 CB :: 19.825 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.937 HA :: 4.721 HB1 :: 1.605 HB2 :: 1.605 HB3 :: 1.605 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.688 Ave N Shift Values>> N :: 123.23(3.7) 1.T93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> T 0.99 C Shift Assignments>> C :: 174.204 CA :: 62.115 CB :: 69.662 CG2 :: 21.938 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> HA :: 4.335 HB :: 4.216 HG21 :: 1.207 HG22 :: 1.207 HG23 :: 1.207 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) 1.R94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.69 K 0.19 G 0.1 C Shift Assignments>> C :: 175.198 CA :: 55.335 CB :: 31.207 CG :: 26.641 CD :: 43.259 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.182 HA :: 4.305 HB2 :: 1.613 HB3 :: 1.750 HG2 :: 1.439 HG3 :: 1.439 HD2 :: 2.994 HD3 :: 2.994 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 122.332 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.K95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.65 R 0.25 M 0.07 G 0.01 C Shift Assignments>> C :: 173.742 CA :: 53.972 CB :: 32.359 CG :: 24.312 CD :: 29.176 CE :: 42.036 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.235 HA :: 4.268 HB2 :: 1.577 HB3 :: 1.459 HG2 :: 1.216 HG3 :: 1.216 HD2 :: 1.479 HD3 :: 1.479 HE2 :: 2.851 HE3 :: 2.851 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 123.743 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.P96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> CA :: 61.292 CB :: 30.631 CG :: 27.289 CD :: 50.307 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.412 HB2 :: 2.110 HB3 :: 1.722 HG2 :: 1.782 HG3 :: 1.866 HD2 :: 3.249 HD3 :: 3.500 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.P97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 176.065 CA :: 62.586 CB :: 31.926 CG :: 27.332 CD :: 50.338 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.323 HB2 :: 1.828 HB3 :: 2.202 HG2 :: 1.934 HG3 :: 1.934 HD2 :: 3.459 HD3 :: 3.639 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.A98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.88 M 0.1 C Shift Assignments>> C :: 175.510 CA :: 50.338 CB :: 18.089 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.302 HA :: 4.522 HB1 :: 1.318 HB2 :: 1.318 HB3 :: 1.318 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.542 Ave N Shift Values>> N :: 123.23(3.7) 1.P99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 176.871 CA :: 62.963 CB :: 32.175 CG :: 27.435 CD :: 50.505 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.409 HB2 :: 2.286 HB3 :: 1.899 HG2 :: 2.002 HG3 :: 2.002 HD2 :: 3.612 HD3 :: 3.761 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.K100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.64 R 0.28 M 0.05 G 0.01 HN Overlap>> 1.K33 1.K33 C Shift Assignments>> C :: 176.668 CA :: 56.393 CB :: 32.992 CG :: 24.770 CD :: 29.184 CE :: 42.176 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.416 HA :: 4.268 HB2 :: 1.764 HB3 :: 1.764 HG2 :: 1.406 HG3 :: 1.406 HD2 :: 1.649 HD3 :: 1.649 HE2 :: 2.942 HE3 :: 2.942 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 121.643 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.S101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.R41 1.R41 C Shift Assignments>> C :: 174.661 CA :: 58.222 CB :: 63.803 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.359 HA :: 4.444 HB2 :: 3.811 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 117.008 Ave N Shift Values>> N :: 116.3(3.95) 1.T102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.222 CA :: 61.965 CB :: 69.627 CG2 :: 21.584 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.137 HA :: 4.260 HB :: 4.175 HG21 :: 1.124 HG22 :: 1.124 HG23 :: 1.124 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 115.639 Ave N Shift Values>> N :: 115.7(5.05) 1.Y103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 175.715 CA :: 58.098 CB :: 38.759 CD1 :: 133.200 CD2 :: 133.200 CE1 :: 118.210 CE2 :: 118.210 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.138 HA :: 4.553 HB2 :: 2.936 HB3 :: 3.039 HD1 :: 7.094 HD2 :: 7.094 HE1 :: 6.800 HE2 :: 6.800 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 121.861 Ave N Shift Values>> N :: 120.79(4.69) 1.E104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.57 M 0.19 K 0.1 Q 0.06 I 0.06 C Shift Assignments>> C :: 176.156 CA :: 56.434 CB :: 30.514 CG :: 36.315 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.229 HA :: 4.269 HB2 :: 2.010 HB3 :: 1.895 HG2 :: 2.210 HG3 :: 2.210 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 122.657 Ave N Shift Values>> N :: 120.68(3.68) 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 :: 174.441 CA :: 58.500 CB :: 63.834 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.273 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 116.774 Ave N Shift Values>> N :: 116.3(3.95) 1.N106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> N 0.49 D 0.22 Y 0.1 F 0.08 L 0.04 E 0.01 C Shift Assignments>> C :: 175.466 CA :: 53.379 CB :: 38.810 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> HA :: 4.730 HB2 :: 2.799 HB3 :: 2.863 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) 1.T107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.570 CA :: 62.006 CB :: 69.766 CG2 :: 21.605 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.087 HA :: 4.285 HB :: 4.220 HG21 :: 1.179 HG22 :: 1.179 HG23 :: 1.179 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 114.197 Ave N Shift Values>> N :: 115.7(5.05) 1.K108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.64 R 0.3 M 0.02 G 0.02 C Shift Assignments>> C :: 176.450 CA :: 56.393 CB :: 34.979 CG :: 24.770 CD :: 29.017 CE :: 42.259 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.284 HA :: 4.276 HB2 :: 1.755 HB3 :: 1.755 HG2 :: 1.372 HG3 :: 1.372 HD2 :: 1.641 HD3 :: 1.641 HE2 :: 2.950 HE3 :: 2.950 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 123.614 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Q109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.35 K 0.3 E 0.15 M 0.11 R 0.05 C Shift Assignments>> C :: 175.875 CA :: 55.838 CB :: 29.475 CG :: 33.848 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.372 HA :: 4.368 HB2 :: 2.120 HB3 :: 1.979 HG2 :: 2.354 HG3 :: 2.354 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 121.835 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.S110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.F16 1.F16 C Shift Assignments>> C :: 174.434 CA :: 58.417 CB :: 64.081 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.364 HA :: 4.462 HB2 :: 3.828 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 117.428 Ave N Shift Values>> N :: 116.3(3.95) 1.G111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.58 L 0.2 R 0.15 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> CA :: 44.639 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.250 HA2 :: 4.145 HA3 :: 4.098 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.736 Ave N Shift Values>> N :: 109.91(4.29) 1.P112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.320 CA :: 63.295 CB :: 32.168 CG :: 27.130 CD :: 49.793 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.468 HB2 :: 2.229 HB3 :: 1.924 HG2 :: 1.976 HG3 :: 1.976 HD2 :: 3.596 HD3 :: 3.625 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.S113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.552 CA :: 58.500 CB :: 63.916 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.497 HA :: 4.453 HB2 :: 3.853 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 116.386 Ave N Shift Values>> N :: 116.3(3.95) 1.S114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.893 CA :: 58.209 CB :: 63.983 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.293 HA :: 4.454 HB2 :: 3.845 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 117.775 Ave N Shift Values>> N :: 116.3(3.95) 1.G115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.91 L 0.06 C Shift Assignments>> C :: 179.027 CA :: 46.239 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.033 HA2 :: 3.743 HA3 :: 3.791 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 116.818 Ave N Shift Values>> N :: 109.91(4.29) ########################################################################### Overall Results: #Consistent: 109 #Clerical: 0 #Suspicious: 6 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 109 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 6 Shift Relative Order (SRO) Results: #Consistent: 115 #Suspicious: 0 C Shift Results: #Consistent: 480 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 705 #Duplicate: 0 #Unknown: 0 #Suspicious: 11 #Anomalous: 0 N Shift Results: #Consistent: 109 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.P38 HB3 = 0.525(S), Expected = 2.05, Std = 0.3900, ChiSquare = 9.2198e-05 1.S43 HB3 = 2.060(S), Expected = 3.87, Std = 0.3100, ChiSquare = 5.2607e-09 1.K67 HB2 = 0.900(S), Expected = 1.79, Std = 0.2500, ChiSquare = 3.7085e-04 1.K67 HB3 = 0.398(S), Expected = 1.78, Std = 0.2600, ChiSquare = 1.0643e-07 1.A73 HA = 2.430(S), Expected = 4.26, Std = 0.4200, ChiSquare = 1.3177e-05 1.I74 HD11 = -0.659(S), Expected = 0.70, Std = 0.3000, ChiSquare = 5.8984e-06 1.I74 HD12 = -0.659(S), Expected = 0.70, Std = 0.3000, ChiSquare = 5.8984e-06 1.I74 HD13 = -0.659(S), Expected = 0.70, Std = 0.3000, ChiSquare = 5.8984e-06 1.Q86 HB3 = 0.958(S), Expected = 2.04, Std = 0.2900, ChiSquare = 1.9070e-04 1.Q86 HG2 = 0.801(S), Expected = 2.32, Std = 0.2900, ChiSquare = 1.6239e-07 1.Q86 HG3 = 0.351(S), Expected = 2.32, Std = 0.2900, ChiSquare = 1.1240e-11