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 0.75 L 0.1 C 0.08 R 0.04 C Shift Assignments>> C :: 173.759 CA :: 45.225 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> HA2 :: 3.960 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) 1.V8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.77 C 0.22 C Shift Assignments>> C :: 174.695 CA :: 62.772 CB :: 32.380 CG1 :: 21.820 CG2 :: 22.373 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 :: 8.002 HA :: 4.220 HB :: 1.953 HG11 :: 0.851 HG12 :: 0.851 HG13 :: 0.851 HG21 :: 0.920 HG22 :: 0.920 HG23 :: 0.920 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 :: 121.081 Ave N Shift Values>> N :: 121.02(4.96) 1.Q9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.45 C 0.32 Q 0.14 K 0.03 E 0.03 C Shift Assignments>> C :: 176.108 CA :: 53.950 CB :: 32.001 CG :: 33.118 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 :: 9.174 HA :: 4.670 HB2 :: 2.289 HB3 :: 1.880 HG2 :: 2.343 HG3 :: 2.217 HE21 :: 6.815 HE22 :: 7.366 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 :: 125.974 NE2 :: 112.034 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.V10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.95 C 0.04 HN Overlap>> 1.E87 1.E87 C Shift Assignments>> C :: 177.248 CA :: 66.631 CB :: 31.285 CG1 :: 22.521 CG2 :: 20.162 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 :: 8.690 HA :: 3.546 HB :: 1.483 HG11 :: 0.549 HG12 :: 0.549 HG13 :: 0.549 HG21 :: 0.783 HG22 :: 0.783 HG23 :: 0.783 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 :: 122.414 Ave N Shift Values>> N :: 121.02(4.96) 1.G11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.11 L 0.06 C Shift Assignments>> C :: 174.046 CA :: 46.175 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.303 HA2 :: 4.051 HA3 :: 3.792 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 103.324 Ave N Shift Values>> N :: 109.91(4.29) 1.N12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.39 D 0.29 C 0.13 L 0.07 F 0.04 Y 0.04 K 0.01 C Shift Assignments>> C :: 178.467 CA :: 51.905 CB :: 39.942 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 :: 7.483 HA :: 5.334 HB2 :: 3.277 HB3 :: 2.678 HD21 :: 6.787 HD22 :: 7.320 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 :: 114.062 ND2 :: 107.256 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.C13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.42 P 0.35 C 0.09 R 0.04 W 0.03 K 0.01 C Shift Assignments>> C :: 175.666 CA :: 62.195 CB :: 26.843 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.749 HA :: 4.137 HB2 :: 2.889 HB3 :: 3.384 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 117.116 Ave N Shift Values>> N :: 119.95(4.79) 1.L14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 L 0.4 C Shift Assignments>> C :: 179.269 CA :: 58.045 CB :: 39.997 CG :: 26.482 CD1 :: 26.745 CD2 :: 23.194 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 :: 8.247 HA :: 4.227 HB2 :: 1.938 HB3 :: 1.294 HG :: 2.195 HD11 :: 1.057 HD12 :: 1.057 HD13 :: 1.057 HD21 :: 0.890 HD22 :: 0.890 HD23 :: 0.890 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 :: 123.192 Ave N Shift Values>> N :: 121.98(4.07) 1.Q15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 K 0.21 Q 0.2 E 0.13 I 0.06 R 0.05 M 0.01 P 0.01 C Shift Assignments>> C :: 179.105 CA :: 59.392 CB :: 28.233 CG :: 34.209 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 :: 8.651 HA :: 4.143 HB2 :: 2.246 HB3 :: 2.246 HG2 :: 2.469 HG3 :: 2.469 HE21 :: 7.628 HE22 :: 6.787 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 :: 123.229 NE2 :: 111.396 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.V16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.94 C 0.05 HN Overlap>> 1.N103 1.N103 C Shift Assignments>> C :: 177.809 CA :: 66.778 CB :: 31.066 CG1 :: 22.767 CG2 :: 23.139 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 :: 8.648 HA :: 3.679 HB :: 2.007 HG11 :: 0.918 HG12 :: 0.918 HG13 :: 0.918 HG21 :: 1.056 HG22 :: 1.056 HG23 :: 1.056 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 :: 119.645 Ave N Shift Values>> N :: 121.02(4.96) 1.M17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.73 M 0.23 I 0.02 HN Overlap>> 1.E102 1.E102 C Shift Assignments>> C :: 177.471 CA :: 60.984 CB :: 33.623 CG :: 34.003 CE :: 17.812 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 :: 8.418 HA :: 3.788 HB2 :: 2.134 HB3 :: 2.283 HG2 :: 2.483 HG3 :: 2.111 HE1 :: 1.857 HE2 :: 1.857 HE3 :: 1.857 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 :: 119.780 Ave N Shift Values>> N :: 120.1(3.88) 1.W18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.66 C 0.32 H 0.01 C Shift Assignments>> C :: 178.583 CA :: 61.353 CB :: 29.414 CD1 :: 127.068 CE3 :: 120.591 CZ2 :: 114.598 CZ3 :: 121.955 CH2 :: 124.552 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 :: 7.789 HA :: 4.305 HB2 :: 3.330 HB3 :: 3.526 HD1 :: 7.253 HE1 :: 10.317 HE3 :: 7.581 HZ2 :: 7.542 HZ3 :: 7.149 HH2 :: 7.259 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 :: 117.573 NE1 :: 129.391 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.L19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 C 0.31 R 0.09 G 0.04 HN Overlap>> 1.D25 1.D25 C Shift Assignments>> C :: 178.420 CA :: 57.861 CB :: 42.835 CG :: 26.913 CD1 :: 25.178 CD2 :: 23.891 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 :: 8.379 HA :: 3.909 HB2 :: 1.940 HB3 :: 1.660 HG :: 1.849 HD11 :: 0.952 HD12 :: 0.952 HD13 :: 0.952 HD21 :: 0.974 HD22 :: 0.974 HD23 :: 0.974 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 :: 120.048 Ave N Shift Values>> N :: 121.98(4.07) 1.A20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.49 M 0.44 C 0.03 I 0.01 C Shift Assignments>> C :: 179.214 CA :: 54.554 CB :: 18.714 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.203 HA :: 4.209 HB1 :: 1.719 HB2 :: 1.719 HB3 :: 1.719 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.400 Ave N Shift Values>> N :: 123.23(3.7) 1.D21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.27 L 0.24 K 0.12 C 0.11 F 0.07 D 0.06 Y 0.05 G 0.02 C Shift Assignments>> C :: 177.820 CA :: 56.518 CB :: 42.986 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 :: 8.150 HA :: 4.279 HB2 :: 2.803 HB3 :: 2.803 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 :: 118.457 Ave N Shift Values>> N :: 120.73(4.2) 1.R22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.4 C 0.34 K 0.16 G 0.05 L 0.02 C Shift Assignments>> C :: 177.858 CA :: 58.341 CB :: 29.889 CG :: 26.326 CD :: 43.126 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 :: 7.905 HA :: 3.771 HB2 :: 1.447 HB3 :: 1.447 HG2 :: 1.127 HG3 :: 1.127 HD2 :: 2.676 HD3 :: 2.748 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 :: 120.004 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.H23 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 :: 174.452 CA :: 55.599 CB :: 29.528 CD2 :: 120.941 CE1 :: 137.854 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 :: 8.211 HA :: 4.689 HB2 :: 3.377 HB3 :: 2.988 HD2 :: 6.994 HE1 :: 7.919 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 :: 115.546 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 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 :: 173.049 CA :: 58.706 CB :: 61.869 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.632 HA :: 4.060 HB2 :: 4.012 HB3 :: 3.942 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 :: 114.363 Ave N Shift Values>> N :: 116.3(3.95) 1.D25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 N 0.17 C 0.16 L 0.16 K 0.04 R 0.03 G 0.03 F 0.03 Y 0.02 HN Overlap>> 1.L19 1.L19 C Shift Assignments>> C :: 173.836 CA :: 50.519 CB :: 41.808 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 :: 8.384 HA :: 5.255 HB2 :: 3.050 HB3 :: 2.469 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 :: 120.078 Ave N Shift Values>> N :: 120.73(4.2) 1.P26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.82 C 0.17 C Shift Assignments>> C :: 179.682 CA :: 64.910 CB :: 32.052 CG :: 27.245 CD :: 51.074 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 :: 4.416 HB2 :: 2.348 HB3 :: 2.076 HG2 :: 2.152 HG3 :: 2.037 HD2 :: 3.711 HD3 :: 4.046 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.E27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 I 0.31 E 0.29 K 0.04 M 0.01 C Shift Assignments>> C :: 179.472 CA :: 59.847 CB :: 29.269 CG :: 36.885 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 :: 8.291 HA :: 4.152 HB2 :: 2.078 HB3 :: 2.167 HG2 :: 2.380 HG3 :: 2.328 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 :: 119.868 Ave N Shift Values>> N :: 120.68(3.68) 1.L28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 C 0.32 R 0.06 G 0.01 C Shift Assignments>> C :: 177.927 CA :: 57.077 CB :: 42.179 CG :: 26.730 CD1 :: 25.041 CD2 :: 23.388 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 :: 7.676 HA :: 4.172 HB2 :: 1.556 HB3 :: 1.556 HG :: 1.454 HD11 :: 0.893 HD12 :: 0.893 HD13 :: 0.893 HD21 :: 0.883 HD22 :: 0.883 HD23 :: 0.883 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 :: 123.137 Ave N Shift Values>> N :: 121.98(4.07) 1.Y29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.72 C 0.27 C Shift Assignments>> C :: 177.049 CA :: 63.272 CB :: 39.156 CD1 :: 133.340 CD2 :: 133.340 CE1 :: 118.189 CE2 :: 118.189 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 :: 8.251 HA :: 3.757 HB2 :: 3.067 HB3 :: 2.974 HD1 :: 7.210 HD2 :: 7.210 HE1 :: 6.682 HE2 :: 6.682 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 :: 119.230 Ave N Shift Values>> N :: 120.79(4.69) 1.T30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 C 0.01 C Shift Assignments>> C :: 175.653 CA :: 67.369 CB :: 68.750 CG2 :: 21.763 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 :: 8.321 HA :: 3.586 HB :: 4.301 HG21 :: 1.182 HG22 :: 1.182 HG23 :: 1.182 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 :: 114.452 Ave N Shift Values>> N :: 115.7(5.05) 1.A31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.56 A 0.35 I 0.04 C 0.03 C Shift Assignments>> C :: 181.046 CA :: 55.261 CB :: 18.209 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.758 HA :: 4.175 HB1 :: 1.545 HB2 :: 1.545 HB3 :: 1.545 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.885 Ave N Shift Values>> N :: 123.23(3.7) 1.A32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.6 A 0.28 I 0.05 C 0.03 C Shift Assignments>> C :: 178.185 CA :: 55.617 CB :: 18.095 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.533 HA :: 3.942 HB1 :: 1.545 HB2 :: 1.545 HB3 :: 1.545 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.839 Ave N Shift Values>> N :: 123.23(3.7) 1.K33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.43 C 0.4 R 0.13 M 0.02 C Shift Assignments>> C :: 177.847 CA :: 59.892 CB :: 31.862 CG :: 24.650 CD :: 29.323 CE :: 41.521 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 :: 8.513 HA :: 4.013 HB2 :: 1.769 HB3 :: 1.294 HG2 :: 1.226 HG3 :: 1.297 HD2 :: 1.475 HD3 :: 1.655 HE2 :: 2.853 HE3 :: 2.853 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 :: 120.385 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.H34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 H 0.32 W 0.32 C Shift Assignments>> C :: 178.113 CA :: 59.603 CB :: 30.305 CD2 :: 118.315 CE1 :: 138.478 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 :: 8.343 HA :: 4.238 HB2 :: 3.284 HB3 :: 3.207 HD2 :: 7.015 HE1 :: 7.843 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 :: 118.187 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.C35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.44 I 0.41 C 0.07 R 0.02 W 0.01 C Shift Assignments>> C :: 176.552 CA :: 62.934 CB :: 26.583 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.841 HA :: 4.117 HB2 :: 2.813 HB3 :: 2.996 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 120.997 Ave N Shift Values>> N :: 119.95(4.79) 1.A36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.55 A 0.34 I 0.03 C 0.03 V 0.01 C Shift Assignments>> C :: 179.038 CA :: 55.425 CB :: 18.635 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.491 HA :: 4.032 HB1 :: 1.340 HB2 :: 1.340 HB3 :: 1.340 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.174 Ave N Shift Values>> N :: 123.23(3.7) 1.K37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 K 0.33 R 0.25 M 0.02 G 0.01 HN Overlap>> 1.T72 1.T72 C Shift Assignments>> C :: 176.937 CA :: 59.424 CB :: 32.761 CG :: 25.430 CD :: 30.103 CE :: 42.370 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 :: 8.398 HA :: 3.858 HB2 :: 1.831 HB3 :: 1.989 HG2 :: 1.375 HG3 :: 1.948 HD2 :: 1.674 HD3 :: 1.841 HE2 :: 2.917 HE3 :: 2.917 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 :: 114.271 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.T38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.96 C 0.03 C Shift Assignments>> C :: 174.245 CA :: 63.889 CB :: 69.734 CG2 :: 21.878 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 :: 7.342 HA :: 3.819 HB :: 4.100 HG21 :: 0.917 HG22 :: 0.917 HG23 :: 0.917 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 :: 107.793 Ave N Shift Values>> N :: 115.7(5.05) 1.H39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.38 H 0.3 C 0.3 C Shift Assignments>> C :: 175.692 CA :: 55.726 CB :: 29.283 CD2 :: 123.576 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 :: 7.439 HA :: 4.924 HB2 :: 3.604 HB3 :: 2.630 HD2 :: 7.363 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 :: 116.334 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.L40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.45 C 0.34 R 0.15 G 0.03 C Shift Assignments>> C :: 178.008 CA :: 58.639 CB :: 42.667 CG :: 26.873 CD1 :: 26.468 CD2 :: 23.554 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 :: 6.739 HA :: 3.867 HB2 :: 1.748 HB3 :: 1.748 HG :: 1.612 HD11 :: 0.741 HD12 :: 0.741 HD13 :: 0.741 HD21 :: 0.750 HD22 :: 0.750 HD23 :: 0.750 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 :: 123.245 Ave N Shift Values>> N :: 121.98(4.07) 1.A41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.58 A 0.32 I 0.04 C 0.02 C Shift Assignments>> C :: 180.203 CA :: 55.243 CB :: 17.852 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.973 HA :: 4.143 HB1 :: 1.357 HB2 :: 1.357 HB3 :: 1.357 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.184 Ave N Shift Values>> N :: 123.23(3.7) 1.Q42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 Q 0.23 K 0.2 E 0.18 M 0.07 R 0.02 I 0.01 C Shift Assignments>> C :: 178.124 CA :: 57.372 CB :: 29.502 CG :: 34.370 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 :: 7.783 HA :: 4.322 HB2 :: 2.240 HB3 :: 2.166 HG2 :: 2.526 HG3 :: 2.467 HE21 :: 6.928 HE22 :: 7.697 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 :: 115.045 NE2 :: 111.526 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.L43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.41 C 0.3 R 0.14 G 0.1 A 0.02 HN Overlap>> 1.E76 1.E76 1.S96 1.S96 C Shift Assignments>> C :: 179.262 CA :: 55.649 CB :: 43.354 CG :: 26.433 CD1 :: 23.147 CD2 :: 26.714 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 :: 7.872 HA :: 4.291 HB2 :: 1.678 HB3 :: 1.298 HG :: 1.706 HD11 :: 0.961 HD12 :: 0.961 HD13 :: 0.961 HD21 :: 0.937 HD22 :: 0.937 HD23 :: 0.937 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 :: 117.892 Ave N Shift Values>> N :: 121.98(4.07) 1.Q44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 K 0.26 Q 0.22 R 0.11 M 0.06 E 0.05 C Shift Assignments>> C :: 172.906 CA :: 57.881 CB :: 28.918 CG :: 32.924 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 :: 7.434 HA :: 3.231 HB2 :: 1.541 HB3 :: 1.852 HG2 :: 2.394 HG3 :: 1.831 HE21 :: 6.623 HE22 :: 6.803 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 :: 116.641 NE2 :: 108.905 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.N45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.45 D 0.23 C 0.14 Y 0.05 F 0.05 L 0.04 C Shift Assignments>> C :: 175.560 CA :: 52.474 CB :: 39.246 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 :: 7.489 HA :: 5.091 HB2 :: 3.003 HB3 :: 2.722 HD21 :: 7.530 HD22 :: 6.947 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 :: 113.888 ND2 :: 112.608 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.T46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.68 C 0.31 C Shift Assignments>> C :: 174.822 CA :: 60.649 CB :: 72.602 CG2 :: 22.267 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 :: 7.915 HA :: 4.700 HB :: 4.665 HG21 :: 1.447 HG22 :: 1.447 HG23 :: 1.447 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 :: 110.505 Ave N Shift Values>> N :: 115.7(5.05) 1.E47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.31 I 0.28 K 0.03 M 0.02 C Shift Assignments>> C :: 178.729 CA :: 59.961 CB :: 29.828 CG :: 36.856 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 :: 9.095 HA :: 3.838 HB2 :: 2.058 HB3 :: 1.988 HG2 :: 2.229 HG3 :: 2.338 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 :: 123.356 Ave N Shift Values>> N :: 120.68(3.68) 1.E48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.4 C 0.33 E 0.23 K 0.01 C Shift Assignments>> C :: 178.644 CA :: 60.291 CB :: 29.400 CG :: 37.409 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 :: 9.070 HA :: 3.944 HB2 :: 1.915 HB3 :: 2.175 HG2 :: 2.307 HG3 :: 2.540 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 :: 116.846 Ave N Shift Values>> N :: 120.68(3.68) 1.F49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.73 C 0.26 C Shift Assignments>> C :: 176.588 CA :: 61.466 CB :: 40.582 CD1 :: 132.073 CD2 :: 132.073 CE1 :: 131.005 CE2 :: 131.005 CZ :: 129.899 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 :: 7.372 HA :: 4.019 HB2 :: 3.258 HB3 :: 2.797 HD1 :: 7.104 HD2 :: 7.104 HE1 :: 7.254 HE2 :: 7.254 HZ :: 7.008 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 :: 118.090 Ave N Shift Values>> N :: 120.69(4.18) 1.L50 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.74 L 0.22 A 0.03 C Shift Assignments>> C :: 177.441 CA :: 57.424 CB :: 39.245 CG :: 26.252 CD1 :: 21.921 CD2 :: 25.393 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 :: 7.668 HA :: 3.637 HB2 :: 1.041 HB3 :: 0.004(S) HG :: 1.931 HD11 :: 0.922 HD12 :: 0.922 HD13 :: 0.922 HD21 :: 0.748 HD22 :: 0.748 HD23 :: 0.748 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 :: 117.601 Ave N Shift Values>> N :: 121.98(4.07) 1.H51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.37 W 0.34 C 0.28 C Shift Assignments>> C :: 174.241 CA :: 56.053 CB :: 29.947 CD2 :: 120.087 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 :: 7.503 HA :: 4.318 HB2 :: 3.478 HB3 :: 2.854 HD2 :: 7.037 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 :: 112.487 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.L52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 C 0.23 G 0.16 R 0.05 C Shift Assignments>> C :: 175.933 CA :: 54.187 CB :: 43.602 CG :: 26.043 CD1 :: 25.222 CD2 :: 26.187 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 :: 7.649 HA :: 4.427 HB2 :: 1.808 HB3 :: 1.395 HG :: 2.082 HD11 :: 0.781 HD12 :: 0.781 HD13 :: 0.781 HD21 :: 0.823 HD22 :: 0.823 HD23 :: 0.823 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 :: 124.933 Ave N Shift Values>> N :: 121.98(4.07) 1.P53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.67 C 0.32 C Shift Assignments>> C :: 177.397 CA :: 62.339 CB :: 33.076 CG :: 28.010 CD :: 51.052 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 :: 4.834 HB2 :: 1.879 HB3 :: 2.692 HG2 :: 2.191 HG3 :: 1.999 HD2 :: 3.467 HD3 :: 4.175 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.H54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 H 0.33 W 0.13 C Shift Assignments>> C :: 177.198 CA :: 60.463 CB :: 30.873 CD2 :: 116.891 CE1 :: 138.147 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 :: 9.258 HA :: 3.528 HB2 :: 2.897 HB3 :: 2.780 HD2 :: 6.182 HE1 :: 7.514 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 :: 124.707 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.R55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.46 C 0.37 K 0.08 G 0.05 L 0.01 C Shift Assignments>> C :: 177.437 CA :: 59.210 CB :: 29.960 CG :: 27.150 CD :: 43.037 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 :: 8.771 HA :: 3.760 HB2 :: 1.842 HB3 :: 1.597 HG2 :: 1.480 HG3 :: 1.480 HD2 :: 3.126 HD3 :: 3.255 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 :: 117.975 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.L56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 R 0.23 L 0.18 K 0.02 C Shift Assignments>> C :: 177.932 CA :: 57.872 CB :: 41.738 CG :: 29.607 CD1 :: 24.404 CD2 :: 24.695 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 :: 6.606 HA :: 4.209 HB2 :: 1.598 HB3 :: 1.598 HG :: 1.929 HD11 :: 0.982 HD12 :: 0.982 HD13 :: 0.982 HD21 :: 0.894 HD22 :: 0.894 HD23 :: 0.894 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 :: 117.408 Ave N Shift Values>> N :: 121.98(4.07) 1.L57 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.49 L 0.49 C Shift Assignments>> C :: 178.425 CA :: 57.946 CB :: 40.630 CG :: 26.158 CD1 :: 23.005 CD2 :: 25.066 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 :: 7.393 HA :: 3.682 HB2 :: 1.054 HB3 :: 0.438 HG :: 0.823 HD11 :: 0.506 HD12 :: 0.506 HD13 :: 0.506 HD21 :: -0.535(S) HD22 :: -0.535(S) HD23 :: -0.535(S) 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 :: 119.099 Ave N Shift Values>> N :: 121.98(4.07) 1.T58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 C 0.01 C Shift Assignments>> C :: 176.089 CA :: 66.599 CB :: 68.225 CG2 :: 21.230 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 :: 8.216 HA :: 3.457 HB :: 3.834 HG21 :: 0.945 HG22 :: 0.945 HG23 :: 0.945 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 :: 112.438 Ave N Shift Values>> N :: 115.7(5.05) 1.D59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.23 Y 0.2 C 0.16 L 0.1 D 0.1 K 0.08 I 0.05 N 0.02 R 0.01 C Shift Assignments>> C :: 177.716 CA :: 57.233 CB :: 40.350 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 :: 7.251 HA :: 4.437 HB2 :: 2.868 HB3 :: 2.536 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 :: 122.744 Ave N Shift Values>> N :: 120.73(4.2) 1.I60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.95 C 0.04 C Shift Assignments>> C :: 177.060 CA :: 66.350 CB :: 38.832 CG1 :: 29.582 CG2 :: 17.120 CD1 :: 14.331 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 :: 7.468 HA :: 3.417 HB :: 1.964 HG12 :: 0.707 HG13 :: 1.956 HG21 :: 0.740 HG22 :: 0.740 HG23 :: 0.740 HD11 :: 0.713 HD12 :: 0.713 HD13 :: 0.713 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 :: 117.239 Ave N Shift Values>> N :: 121.6(4.72) 1.I61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.8 C 0.19 C Shift Assignments>> C :: 177.499 CA :: 63.162 CB :: 37.377 CG1 :: 26.335 CG2 :: 18.288 CD1 :: 14.372 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 :: 7.764 HA :: 3.981 HB :: 2.052 HG12 :: 1.445 HG13 :: 1.355 HG21 :: 0.838 HG22 :: 0.838 HG23 :: 0.838 HD11 :: 0.769 HD12 :: 0.769 HD13 :: 0.769 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 :: 109.871 Ave N Shift Values>> N :: 121.6(4.72) 1.S62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.572 CA :: 59.787 CB :: 63.981 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.008 HA :: 4.594 HB2 :: 3.923 HB3 :: 4.072 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 :: 114.782 Ave N Shift Values>> N :: 116.3(3.95) 1.D63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.29 R 0.23 D 0.12 K 0.1 C 0.1 F 0.05 Y 0.03 G 0.03 N 0.01 C Shift Assignments>> C :: 176.210 CA :: 55.070 CB :: 42.990 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 :: 7.596 HA :: 4.723 HB2 :: 2.656 HB3 :: 2.855 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 :: 119.874 Ave N Shift Values>> N :: 120.73(4.2) 1.G64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 L 0.08 C 0.08 R 0.02 C Shift Assignments>> CA :: 45.482 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.333 HA2 :: 3.777 HA3 :: 4.213 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.014 Ave N Shift Values>> N :: 109.91(4.29) 1.V65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.63 V 0.36 C Shift Assignments>> CA :: 59.079 CB :: 34.853 CG1 :: 22.690 CG2 :: 21.393 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 :: 8.870 HA :: 4.346 HB :: 1.922 HG11 :: 1.031 HG12 :: 1.031 HG13 :: 1.031 HG21 :: 1.139 HG22 :: 1.139 HG23 :: 1.139 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 :: 125.610 Ave N Shift Values>> N :: 121.02(4.96) 1.P66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.78 C 0.2 C Shift Assignments>> C :: 178.390 CA :: 63.274 CB :: 32.570 CG :: 27.984 CD :: 51.126 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 :: 4.642 HB2 :: 2.497 HB3 :: 1.986 HG2 :: 2.104 HG3 :: 1.996 HD2 :: 3.799 HD3 :: 3.608 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.C67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.39 P 0.18 C 0.12 R 0.07 W 0.07 K 0.03 E 0.02 Q 0.02 H 0.02 L 0.01 C Shift Assignments>> C :: 176.687 CA :: 61.288 CB :: 27.433 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.836 HA :: 4.309 HB2 :: 3.084 HB3 :: 3.084 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 122.942 Ave N Shift Values>> N :: 119.95(4.79) 1.S68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.038 CA :: 59.602 CB :: 62.603 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.335 HA :: 4.309 HB2 :: 4.016 HB3 :: 4.016 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 :: 115.832 Ave N Shift Values>> N :: 116.3(3.95) 1.Q69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.28 C 0.26 K 0.26 R 0.08 E 0.05 M 0.04 C Shift Assignments>> C :: 173.217 CA :: 54.072 CB :: 28.297 CG :: 33.636 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 :: 7.992 HA :: 4.259 HB2 :: 2.413 HB3 :: 1.852 HG2 :: 2.230 HG3 :: 2.468 HE21 :: 6.623 HE22 :: 7.282 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 :: 117.984 NE2 :: 114.548 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.N70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.45 C 0.21 D 0.09 Y 0.08 F 0.05 E 0.04 M 0.02 L 0.01 C Shift Assignments>> C :: 173.343 CA :: 53.333 CB :: 37.751 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 :: 7.923 HA :: 4.710 HB2 :: 3.142 HB3 :: 2.797 HD21 :: 7.512 HD22 :: 6.736 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 :: 112.850 ND2 :: 111.843 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.P71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.78 C 0.21 C Shift Assignments>> C :: 177.753 CA :: 64.697 CB :: 31.427 CG :: 28.077 CD :: 51.309 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 :: 4.255 HB2 :: 2.023 HB3 :: 1.963 HG2 :: 2.223 HG3 :: 1.918 HD2 :: 3.414 HD3 :: 4.069 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.T72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 C 0.02 HN Overlap>> 1.K37 1.K37 C Shift Assignments>> C :: 176.637 CA :: 67.967 CB :: 67.515 CG2 :: 22.071 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 :: 8.508 HA :: 4.202 HB :: 3.874 HG21 :: 1.281 HG22 :: 1.281 HG23 :: 1.281 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 :: 114.247 Ave N Shift Values>> N :: 115.7(5.05) 1.E73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.34 C 0.33 E 0.27 K 0.03 C Shift Assignments>> C :: 178.992 CA :: 59.749 CB :: 29.209 CG :: 37.216 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 :: 7.951 HA :: 4.075 HB2 :: 2.233 HB3 :: 2.154 HG2 :: 2.400 HG3 :: 2.372 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 :: 121.776 Ave N Shift Values>> N :: 120.68(3.68) 1.A74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.58 A 0.31 I 0.04 C 0.03 C Shift Assignments>> C :: 179.217 CA :: 55.438 CB :: 18.165 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.514 HA :: 4.041 HB1 :: 1.463 HB2 :: 1.463 HB3 :: 1.463 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.303 Ave N Shift Values>> N :: 123.23(3.7) 1.I75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.93 C 0.06 C Shift Assignments>> C :: 177.596 CA :: 66.189 CB :: 38.498 CG1 :: 29.582 CG2 :: 18.533 CD1 :: 14.986 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 :: 8.098 HA :: 3.783 HB :: 2.111 HG12 :: 1.050 HG13 :: 1.930 HG21 :: 1.040 HG22 :: 1.040 HG23 :: 1.040 HD11 :: 0.896 HD12 :: 0.896 HD13 :: 0.896 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 :: 116.861 Ave N Shift Values>> N :: 121.6(4.72) 1.E76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.31 I 0.2 K 0.09 Q 0.04 M 0.01 HN Overlap>> 1.L43 1.S96 1.L43 1.S96 C Shift Assignments>> C :: 178.382 CA :: 59.460 CB :: 29.063 CG :: 36.052 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 :: 7.883 HA :: 4.119 HB2 :: 2.076 HB3 :: 2.168 HG2 :: 2.467 HG3 :: 2.467 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 :: 117.953 Ave N Shift Values>> N :: 120.68(3.68) 1.A77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.58 A 0.33 I 0.04 C 0.03 C Shift Assignments>> C :: 180.260 CA :: 55.273 CB :: 17.977 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.271 HA :: 4.234 HB1 :: 1.731 HB2 :: 1.731 HB3 :: 1.731 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.398 Ave N Shift Values>> N :: 123.23(3.7) 1.W78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.68 C 0.31 C Shift Assignments>> C :: 179.625 CA :: 63.866 CB :: 28.795 CD1 :: 127.582 CE3 :: 120.571 CZ2 :: 113.976 CZ3 :: 120.674 CH2 :: 122.522 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 :: 8.403 HA :: 3.925 HB2 :: 3.258 HB3 :: 3.570 HD1 :: 6.986 HE1 :: 10.578 HE3 :: 7.399 HZ2 :: 7.432 HZ3 :: 6.994 HH2 :: 6.966 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 :: 118.797 NE1 :: 133.022 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.I79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.94 C 0.05 C Shift Assignments>> C :: 177.632 CA :: 65.593 CB :: 38.471 CG1 :: 28.938 CG2 :: 17.189 CD1 :: 14.437 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 :: 8.899 HA :: 3.301 HB :: 2.021 HG12 :: 1.259 HG13 :: 2.318 HG21 :: 0.868 HG22 :: 0.868 HG23 :: 0.868 HD11 :: 1.063 HD12 :: 1.063 HD13 :: 1.063 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 :: 120.600 Ave N Shift Values>> N :: 121.6(4.72) 1.N80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.24 C 0.21 Y 0.16 D 0.12 F 0.12 E 0.05 L 0.03 I 0.01 M 0.01 C Shift Assignments>> C :: 176.402 CA :: 54.955 CB :: 38.359 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 :: 8.398 HA :: 4.345 HB2 :: 2.930 HB3 :: 2.837 HD21 :: 7.605 HD22 :: 7.010 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 :: 113.134 ND2 :: 111.981 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.F81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.42 Y 0.34 C 0.23 C Shift Assignments>> C :: 176.096 CA :: 60.356 CB :: 39.849 CD1 :: 132.395 CD2 :: 132.395 CE1 :: 131.000 CE2 :: 131.000 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 :: 7.520 HA :: 4.285 HB2 :: 2.712 HB3 :: 3.286 HD1 :: 7.013 HD2 :: 7.013 HE1 :: 6.088 HE2 :: 6.088 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 :: 120.627 Ave N Shift Values>> N :: 120.69(4.18) 1.N82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.54 C 0.23 D 0.06 Y 0.05 F 0.03 E 0.03 M 0.02 C Shift Assignments>> C :: 173.699 CA :: 52.141 CB :: 37.369 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 :: 7.049 HA :: 4.514 HB2 :: 2.320 HB3 :: 2.525 HD21 :: 7.273 HD22 :: 6.790 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 :: 112.178 ND2 :: 110.856 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.K83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 K 0.37 R 0.21 G 0.01 C Shift Assignments>> C :: 178.736 CA :: 60.403 CB :: 33.035 CG :: 25.799 CD :: 29.578 CE :: 41.998 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 :: 8.785 HA :: 3.933 HB2 :: 1.830 HB3 :: 1.830 HG2 :: 1.482 HG3 :: 1.482 HD2 :: 1.734 HD3 :: 1.734 HE2 :: 3.014 HE3 :: 3.014 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 :: 127.027 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 I 0.32 E 0.28 K 0.04 C Shift Assignments>> C :: 178.771 CA :: 59.925 CB :: 29.172 CG :: 36.887 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 :: 8.734 HA :: 4.001 HB2 :: 2.123 HB3 :: 2.015 HG2 :: 2.341 HG3 :: 2.341 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 :: 117.762 Ave N Shift Values>> N :: 120.68(3.68) 1.E85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 E 0.33 M 0.14 I 0.04 C Shift Assignments>> C :: 177.985 CA :: 57.370 CB :: 31.921 CG :: 37.065 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 :: 7.008 HA :: 4.371 HB2 :: 2.075 HB3 :: 1.831 HG2 :: 2.350 HG3 :: 2.182 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 :: 114.439 Ave N Shift Values>> N :: 120.68(3.68) 1.R86 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> C 0.36 R 0.34 K 0.23 G 0.05 C Shift Assignments>> C :: 177.988 CA :: 57.986 CB :: 31.757 CG :: 28.666 CD :: 43.236 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 :: 8.226 HA :: 4.629 HB2 :: 1.943 HB3 :: 1.943 HG2 :: 1.248 HG3 :: 1.717 HD2 :: 2.274(S) HD3 :: 0.623(A) 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 :: 115.165 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) SRO Rule Breaks>> (HD3 > HB2 : 0.9950) (HD3 > HB3 : 0.9958) (HD3 > HG2 : 0.9974) (HD3 > HG3 : 0.9982) 1.E87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 I 0.29 E 0.25 K 0.07 Q 0.02 HN Overlap>> 1.V10 1.V10 C Shift Assignments>> C :: 178.603 CA :: 60.150 CB :: 28.654 CG :: 36.195 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 :: 8.662 HA :: 4.077 HB2 :: 2.023 HB3 :: 2.264 HG2 :: 2.314 HG3 :: 2.372 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 :: 122.352 Ave N Shift Values>> N :: 120.68(3.68) 1.A88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.54 M 0.41 C 0.02 I 0.01 C Shift Assignments>> C :: 178.804 CA :: 54.078 CB :: 18.234 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.034 HA :: 4.120 HB1 :: 1.066 HB2 :: 1.066 HB3 :: 1.066 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.716 Ave N Shift Values>> N :: 123.23(3.7) 1.F89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.41 Y 0.29 C 0.29 C Shift Assignments>> C :: 176.166 CA :: 57.172 CB :: 39.876 CD1 :: 130.891 CD2 :: 130.891 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 :: 7.887 HA :: 4.752 HB2 :: 3.159 HB3 :: 3.429 HD1 :: 7.185 HD2 :: 7.185 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 :: 115.200 Ave N Shift Values>> N :: 120.69(4.18) 1.A90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.56 A 0.1 I 0.09 V 0.09 C 0.07 T 0.04 L 0.01 C Shift Assignments>> C :: 178.845 CA :: 57.176 CB :: 19.398 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.951 HA :: 4.000 HB1 :: 1.684 HB2 :: 1.684 HB3 :: 1.684 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.799 Ave N Shift Values>> N :: 123.23(3.7) 1.E91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.3 I 0.23 K 0.07 Q 0.03 M 0.01 C Shift Assignments>> CA :: 59.862 CB :: 29.212 CG :: 36.161 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 :: 8.755 HA :: 4.167 HB2 :: 2.111 HB3 :: 2.111 HG2 :: 2.314 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 :: 117.127 Ave N Shift Values>> N :: 120.68(3.68) 1.S92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.560 CA :: 61.369 CB :: 62.641 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.646 HA :: 4.257 HB2 :: 4.103 HB3 :: 4.103 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 :: 116.116 Ave N Shift Values>> N :: 116.3(3.95) 1.L93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 R 0.31 L 0.25 G 0.04 K 0.03 C Shift Assignments>> C :: 178.399 CA :: 58.181 CB :: 42.883 CG :: 27.174 CD1 :: 27.774 CD2 :: 23.998 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 :: 8.317 HA :: 4.120 HB2 :: 2.088 HB3 :: 1.267 HG :: 1.971 HD11 :: 0.889 HD12 :: 0.889 HD13 :: 0.889 HD21 :: 0.607 HD22 :: 0.607 HD23 :: 0.607 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 :: 123.787 Ave N Shift Values>> N :: 121.98(4.07) 1.R94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 R 0.37 G 0.14 K 0.07 C Shift Assignments>> C :: 179.576 CA :: 60.216 CB :: 30.287 CG :: 28.822 CD :: 43.560 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 :: 8.240 HA :: 3.940 HB2 :: 1.986 HB3 :: 1.986 HG2 :: 1.688 HG3 :: 1.908 HD2 :: 3.166 HD3 :: 3.243 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 :: 116.890 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.T95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 C 0.02 C Shift Assignments>> C :: 175.945 CA :: 65.098 CB :: 69.287 CG2 :: 21.885 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 :: 8.237 HA :: 4.167 HB :: 4.378 HG21 :: 1.337 HG22 :: 1.337 HG23 :: 1.337 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 :: 112.026 Ave N Shift Values>> N :: 115.7(5.05) 1.S96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.E76 1.L43 1.E76 1.L43 C Shift Assignments>> C :: 174.091 CA :: 60.964 CB :: 63.583 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.878 HA :: 4.336 HB2 :: 3.882 HB3 :: 3.987 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 :: 117.872 Ave N Shift Values>> N :: 116.3(3.95) 1.L97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 C 0.32 R 0.08 C Shift Assignments>> C :: 175.946 CA :: 56.331 CB :: 41.644 CG :: 27.304 CD1 :: 25.467 CD2 :: 24.606 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 :: 7.124 HA :: 3.891 HB2 :: 1.556 HB3 :: 1.825 HG :: 1.565 HD11 :: 0.909 HD12 :: 0.909 HD13 :: 0.909 HD21 :: 0.937 HD22 :: 0.937 HD23 :: 0.937 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 :: 120.771 Ave N Shift Values>> N :: 121.98(4.07) 1.K98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.41 C 0.37 R 0.17 M 0.02 G 0.01 C Shift Assignments>> C :: 175.095 CA :: 55.590 CB :: 33.744 CG :: 24.769 CD :: 29.102 CE :: 42.238 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 :: 8.174 HA :: 4.559 HB2 :: 1.751 HB3 :: 1.751 HG2 :: 1.358 HG3 :: 1.533 HD2 :: 1.714 HD3 :: 1.714 HE2 :: 3.023 HE3 :: 3.023 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 :: 126.496 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 E 0.32 M 0.14 I 0.03 K 0.01 C Shift Assignments>> C :: 176.628 CA :: 55.870 CB :: 31.630 CG :: 37.304 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 :: 8.669 HA :: 4.855 HB2 :: 1.919 HB3 :: 2.084 HG2 :: 2.226 HG3 :: 2.138 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 :: 124.407 Ave N Shift Values>> N :: 120.68(3.68) 1.I100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.66 C 0.33 C Shift Assignments>> C :: 176.229 CA :: 60.380 CB :: 39.581 CG1 :: 26.630 CG2 :: 17.552 CD1 :: 12.997 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 :: 8.111 HA :: 4.412 HB :: 1.818 HG12 :: 1.373 HG13 :: 0.956 HG21 :: 0.926 HG22 :: 0.926 HG23 :: 0.926 HD11 :: 0.803 HD12 :: 0.803 HD13 :: 0.803 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 :: 121.568 Ave N Shift Values>> N :: 121.6(4.72) 1.G101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.74 L 0.1 C 0.08 R 0.04 C Shift Assignments>> C :: 173.662 CA :: 45.202 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.495 HA2 :: 4.208 HA3 :: 3.996 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.768 Ave N Shift Values>> N :: 109.91(4.29) 1.E102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.36 M 0.14 K 0.04 I 0.03 Q 0.03 HN Overlap>> 1.M17 1.M17 C Shift Assignments>> C :: 176.248 CA :: 56.460 CB :: 30.842 CG :: 36.395 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 :: 8.353 HA :: 4.361 HB2 :: 2.087 HB3 :: 1.948 HG2 :: 2.317 HG3 :: 2.317 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 :: 119.699 Ave N Shift Values>> N :: 120.68(3.68) 1.N103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.42 D 0.19 C 0.15 Y 0.08 F 0.07 L 0.04 E 0.01 HN Overlap>> 1.V16 1.V16 C Shift Assignments>> C :: 174.745 CA :: 53.262 CB :: 38.896 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 :: 8.601 HA :: 4.737 HB2 :: 2.863 HB3 :: 2.756 HD21 :: 6.951 HD22 :: 7.629 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 :: 119.593 ND2 :: 113.080 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.V104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.75 C 0.24 C Shift Assignments>> C :: 175.091 CA :: 62.461 CB :: 32.678 CG1 :: 21.234 CG2 :: 20.362 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 :: 8.000 HA :: 4.111 HB :: 2.065 HG11 :: 0.905 HG12 :: 0.905 HG13 :: 0.905 HG21 :: 0.877 HG22 :: 0.877 HG23 :: 0.877 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 :: 120.402 Ave N Shift Values>> N :: 121.02(4.96) 1.H105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.34 H 0.34 C 0.3 C Shift Assignments>> C :: 179.269 CA :: 57.185 CB :: 30.745 CD2 :: 120.146 CE1 :: 136.931 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 :: 8.030 HA :: 4.503 HB2 :: 3.084 HB3 :: 3.229 HD2 :: 7.144 HE1 :: 8.273 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 :: 127.692 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) ########################################################################### Overall Results: #Consistent: 102 #Clerical: 0 #Suspicious: 2 #Anomalous: 1 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 99 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 6 Shift Relative Order (SRO) Results: #Consistent: 104 #Suspicious: 1 C Shift Results: #Consistent: 435 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 689 #Duplicate: 0 #Unknown: 0 #Suspicious: 5 #Anomalous: 1 N Shift Results: #Consistent: 107 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.L50 HB3 = 0.004(S), Expected = 1.57, Std = 0.3600, ChiSquare = 1.3614e-05 1.L57 HD21 = -0.535(S), Expected = 0.76, Std = 0.2800, ChiSquare = 3.7460e-06 1.L57 HD22 = -0.535(S), Expected = 0.76, Std = 0.2800, ChiSquare = 3.7460e-06 1.L57 HD23 = -0.535(S), Expected = 0.76, Std = 0.2800, ChiSquare = 3.7460e-06 1.R86 HD2 = 2.274(S), Expected = 3.13, Std = 0.2300, ChiSquare = 1.9786e-04 1.R86 HD3 = 0.623(A), Expected = 3.13, Std = 0.2200, ChiSquare = 4.4052e-30 1.R86 SRO Rule Break>> HD3 > HB2 : 0.994991652754591 1.R86 SRO Rule Break>> HD3 > HB3 : 0.995794785534062 1.R86 SRO Rule Break>> HD3 > HG2 : 0.997402597402597 1.R86 SRO Rule Break>> HD3 > HG3 : 0.998244844229925