Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> M 0.4 C 0.35 A 0.23 C Shift Assignments>> C :: 172.070 CA :: 55.140 CB :: 33.902 CG :: 31.012 CE :: 17.753 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>> HA :: 4.079 HB2 :: 2.250 HB3 :: 2.250 HG2 :: 2.664 HG3 :: 2.254 HE1 :: 1.916 HE2 :: 1.916 HE3 :: 1.916 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) 1.R2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 R 0.35 K 0.18 G 0.08 C Shift Assignments>> C :: 176.020 CA :: 56.360 CB :: 31.953 CG :: 28.412 CD :: 43.563 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 :: 9.247 HA :: 5.249 HB2 :: 1.769 HB3 :: 1.541 HG2 :: 1.689 HG3 :: 1.345 HD2 :: 3.071 HD3 :: 3.272 HE :: 7.691 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 :: 129.420 NE :: 83.081 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.V3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 V 0.38 I 0.02 C Shift Assignments>> C :: 173.160 CA :: 61.330 CB :: 36.251 CG1 :: 22.933 CG2 :: 21.294 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 :: 9.361 HA :: 4.464 HB :: 1.778 HG11 :: 0.670 HG12 :: 0.670 HG13 :: 0.670 HG21 :: 0.770 HG22 :: 0.770 HG23 :: 0.770 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 :: 126.750 Ave N Shift Values>> N :: 121.02(4.96) 1.E4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.68 M 0.15 E 0.15 C Shift Assignments>> C :: 173.020 CA :: 54.890 CB :: 33.146 CG :: 37.487 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 :: 9.294 HA :: 4.807 HB2 :: 1.787 HB3 :: 1.634 HG2 :: 1.896 HG3 :: 1.998 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 :: 128.550 Ave N Shift Values>> N :: 120.68(3.68) 1.L5 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.44 R 0.32 L 0.15 G 0.03 K 0.03 C Shift Assignments>> C :: 173.750 CA :: 52.450 CB :: 41.998 CG :: 27.484 CD1 :: 27.149 CD2 :: 28.199 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 :: 8.685 HA :: 4.547 HB2 :: 1.800 HB3 :: 0.250(S) HG :: 1.434 HD11 :: 0.695 HD12 :: 0.695 HD13 :: 0.695 HD21 :: 0.918 HD22 :: 0.918 HD23 :: 0.918 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 :: 124.490 Ave N Shift Values>> N :: 121.98(4.07) 1.L6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.67 C 0.23 R 0.06 G 0.02 HN Overlap>> 1.D86 1.D86 C Shift Assignments>> C :: 176.550 CA :: 53.790 CB :: 42.240 CG :: 27.321 CD1 :: 24.870 CD2 :: 24.894 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 :: 8.608 HA :: 4.502 HB2 :: 1.535 HB3 :: 1.476 HG :: 1.397 HD11 :: 0.703 HD12 :: 0.703 HD13 :: 0.703 HD21 :: 0.727 HD22 :: 0.727 HD23 :: 0.727 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 :: 123.330 Ave N Shift Values>> N :: 121.98(4.07) 1.F7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 F 0.49 C Shift Assignments>> C :: 175.050 CA :: 55.830 CB :: 39.383 CD1 :: 130.470 CD2 :: 130.470 CE1 :: 132.310 CZ :: 127.922 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 :: 8.344 HA :: 5.378 HB2 :: 3.718 HB3 :: 2.722 HD1 :: 6.790 HD2 :: 6.792 HE1 :: 6.771 HE2 :: 6.771 HZ :: 6.763 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 :: 125.190 Ave N Shift Values>> N :: 120.69(4.18) 1.E8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 I 0.35 E 0.24 K 0.01 M 0.01 C Shift Assignments>> C :: 180.740 CA :: 59.530 CB :: 29.723 CG :: 37.891 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 :: 8.226 HA :: 4.266 HB2 :: 1.834 HB3 :: 2.090 HG2 :: 2.296 HG3 :: 2.663 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 :: 120.100 Ave N Shift Values>> N :: 120.68(3.68) 1.S9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.740 CA :: 58.600 CB :: 63.120 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.069 HA :: 4.467 HB2 :: 3.718 HB3 :: 3.718 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 :: 112.770 Ave N Shift Values>> N :: 116.3(3.95) 1.G10 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>> C :: 170.040 CA :: 45.466 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 6.925 HA2 :: 3.896 HA3 :: 3.896 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.760 Ave N Shift Values>> N :: 109.91(4.29) 1.K11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 K 0.25 R 0.13 M 0.03 G 0.01 A 0.01 C Shift Assignments>> C :: 174.230 CA :: 55.460 CB :: 36.408 CG :: 23.744 CD :: 29.608 CE :: 42.224 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 :: 9.071 HA :: 5.484 HB2 :: 1.830 HB3 :: 1.830 HG2 :: 1.171 HG3 :: 1.208 HD2 :: 1.463 HD3 :: 1.463 HE2 :: 2.760 HE3 :: 2.760 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 :: 118.960 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.C12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.16 C 0.15 M 0.14 W 0.14 E 0.13 K 0.12 Q 0.09 V 0.02 I 0.01 C Shift Assignments>> C :: 171.760 CA :: 56.770 CB :: 31.267 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.917 HA :: 5.083 HB2 :: 3.640 HB3 :: 2.738 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 :: 115.700 Ave N Shift Values>> N :: 119.95(4.79) 1.V13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.61 C 0.38 C Shift Assignments>> C :: 175.660 CA :: 61.490 CB :: 35.125 CG1 :: 21.707 CG2 :: 21.337 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 :: 8.474 HA :: 4.992 HB :: 1.688 HG11 :: 0.848 HG12 :: 0.848 HG13 :: 0.848 HG21 :: 0.749 HG22 :: 0.749 HG23 :: 0.749 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 :: 120.490 Ave N Shift Values>> N :: 121.02(4.96) 1.I14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 I 0.45 A 0.02 C Shift Assignments>> C :: 172.570 CA :: 58.540 CB :: 40.755 CG1 :: 26.148 CG2 :: 19.203 CD1 :: 14.275 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 :: 9.378 HA :: 5.335 HB :: 1.779 HG12 :: 1.423 HG13 :: 1.320 HG21 :: 0.873 HG22 :: 0.873 HG23 :: 0.873 HD11 :: 0.782 HD12 :: 0.782 HD13 :: 0.782 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 :: 120.140 Ave N Shift Values>> N :: 121.6(4.72) 1.D15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.28 L 0.28 R 0.15 C 0.12 D 0.09 F 0.01 K 0.01 Y 0.01 C Shift Assignments>> C :: 176.510 CA :: 53.050 CB :: 44.007 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 :: 9.295 HA :: 5.274 HB2 :: 2.782 HB3 :: 2.191 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 :: 123.200 Ave N Shift Values>> N :: 120.73(4.2) 1.L16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.51 L 0.27 C 0.17 A 0.02 C Shift Assignments>> C :: 175.430 CA :: 53.040 CB :: 45.782 CG :: 27.042 CD1 :: 25.562 CD2 :: 23.724 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 :: 8.892 HA :: 4.981 HB2 :: 1.431 HB3 :: 1.811 HG :: 1.650 HD11 :: 0.791 HD12 :: 0.791 HD13 :: 0.791 HD21 :: 0.732 HD22 :: 0.732 HD23 :: 0.732 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 :: 123.620 Ave N Shift Values>> N :: 121.98(4.07) 1.N17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.44 C 0.17 D 0.16 Y 0.08 F 0.06 L 0.02 E 0.01 HN Overlap>> 1.V102 1.V102 C Shift Assignments>> C :: 175.500 CA :: 53.310 CB :: 38.508 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 :: 8.694 HA :: 4.632 HB2 :: 2.729 HB3 :: 3.111 HD21 :: 7.129 HD22 :: 6.841 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 :: 121.330 ND2 :: 111.000 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.E18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 I 0.31 E 0.1 K 0.04 HN Overlap>> 1.M54 1.M54 C Shift Assignments>> C :: 175.250 CA :: 58.330 CB :: 29.947 CG :: 39.376 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 :: 8.793 HA :: 3.736 HB2 :: 2.294 HB3 :: 1.829 HG2 :: 2.300 HG3 :: 2.163 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 :: 124.750 Ave N Shift Values>> N :: 120.68(3.68) 1.E19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.34 I 0.1 K 0.09 M 0.05 Q 0.03 HN Overlap>> 1.K81 1.K81 C Shift Assignments>> C :: 177.350 CA :: 57.730 CB :: 29.744 CG :: 36.349 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 :: 8.187 HA :: 3.885 HB2 :: 1.516 HB3 :: 1.450 HG2 :: 1.962 HG3 :: 1.849 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 :: 117.280 Ave N Shift Values>> N :: 120.68(3.68) 1.Y20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.54 C 0.45 C Shift Assignments>> CA :: 56.050 CB :: 38.464 CD1 :: 131.838 CE1 :: 118.362 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 :: 7.135 HA :: 4.668 HB2 :: 2.749 HB3 :: 3.119 HD1 :: 7.156 HD2 :: 7.156 HE1 :: 6.826 HE2 :: 6.826 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 :: 117.730 Ave N Shift Values>> N :: 120.79(4.69) 1.E21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.25 I 0.25 K 0.08 Q 0.04 M 0.01 C Shift Assignments>> C :: 179.150 CA :: 60.640 CB :: 29.167 CG :: 35.696 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 :: 10.044 HA :: 3.807 HB2 :: 2.073 HB3 :: 2.073 HG2 :: 2.166 HG3 :: 2.090 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 :: 129.480 Ave N Shift Values>> N :: 120.68(3.68) 1.V22 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.88 C 0.11 C Shift Assignments>> C :: 175.490 CA :: 64.470 CB :: 30.858 CG1 :: 20.959 CG2 :: 21.677 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 :: 9.539 HA :: 3.574 HB :: 1.560 HG11 :: -0.221(S) HG12 :: -0.221(S) HG13 :: -0.221(S) HG21 :: 0.684 HG22 :: 0.684 HG23 :: 0.684 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 :: 115.360 Ave N Shift Values>> N :: 121.02(4.96) 1.V23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.66 V 0.33 C Shift Assignments>> C :: 176.900 CA :: 67.030 CB :: 31.499 CG1 :: 26.084 CG2 :: 23.484 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 :: 6.843 HA :: 3.387 HB :: 2.431 HG11 :: 1.131 HG12 :: 1.131 HG13 :: 1.131 HG21 :: 0.738 HG22 :: 0.738 HG23 :: 0.738 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 :: 121.150 Ave N Shift Values>> N :: 121.02(4.96) 1.K24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 K 0.31 R 0.25 G 0.02 M 0.01 C Shift Assignments>> C :: 179.820 CA :: 60.480 CB :: 32.626 CG :: 25.577 CD :: 30.027 CE :: 42.405 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 :: 7.533 HA :: 3.851 HB2 :: 1.799 HB3 :: 1.976 HG2 :: 1.402 HG3 :: 1.616 HD2 :: 1.548 HD3 :: 1.661 HE2 :: 2.883 HE3 :: 2.883 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 :: 120.120 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.48 C 0.36 R 0.13 C Shift Assignments>> C :: 180.620 CA :: 57.440 CB :: 41.717 CG :: 27.421 CD1 :: 25.868 CD2 :: 22.635 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 :: 7.870 HA :: 4.097 HB2 :: 1.513 HB3 :: 1.312 HG :: 1.686 HD11 :: 0.724 HD12 :: 0.724 HD13 :: 0.724 HD21 :: 0.730 HD22 :: 0.730 HD23 :: 0.730 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 :: 117.260 Ave N Shift Values>> N :: 121.98(4.07) 1.L26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.49 C 0.34 R 0.12 G 0.02 C Shift Assignments>> C :: 178.820 CA :: 58.310 CB :: 42.487 CG :: 26.993 CD1 :: 24.441 CD2 :: 25.694 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 :: 8.489 HA :: 3.703 HB2 :: 1.969 HB3 :: 1.248 HG :: 1.740 HD11 :: 0.819 HD12 :: 0.819 HD13 :: 0.819 HD21 :: 0.730 HD22 :: 0.730 HD23 :: 0.730 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 :: 121.760 Ave N Shift Values>> N :: 121.98(4.07) 1.K27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 K 0.31 R 0.24 M 0.01 G 0.01 C Shift Assignments>> C :: 177.470 CA :: 60.480 CB :: 33.472 CG :: 25.609 CD :: 30.245 CE :: 42.151 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 :: 8.190 HA :: 3.799 HB2 :: 1.880 HB3 :: 2.141 HG2 :: 1.377 HG3 :: 1.564 HD2 :: 1.690 HD3 :: 1.690 HE2 :: 2.855 HE3 :: 2.855 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 :: 117.650 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.34 M 0.11 K 0.07 I 0.05 Q 0.04 C Shift Assignments>> C :: 177.280 CA :: 57.370 CB :: 30.480 CG :: 36.162 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 :: 6.841 HA :: 4.238 HB2 :: 2.056 HB3 :: 2.216 HG2 :: 2.499 HG3 :: 2.318 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 :: 111.940 Ave N Shift Values>> N :: 120.68(3.68) 1.K29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.47 C 0.34 R 0.15 G 0.01 M 0.01 C Shift Assignments>> C :: 175.230 CA :: 53.800 CB :: 33.530 CG :: 24.576 CD :: 27.951 CE :: 42.104 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 :: 7.577 HA :: 4.414 HB2 :: 1.583 HB3 :: 1.805 HG2 :: 1.470 HG3 :: 1.013 HD2 :: 1.596 HD3 :: 1.409 HE2 :: 2.858 HE3 :: 2.858 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 :: 115.460 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.I30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.54 C 0.45 C Shift Assignments>> CA :: 60.290 CB :: 39.967 CG1 :: 30.136 CG2 :: 15.794 CD1 :: 14.188 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 :: 6.921 HA :: 3.939 HB :: 1.310 HG12 :: 2.042 HG13 :: 0.567 HG21 :: -0.116 HG22 :: -0.116 HG23 :: -0.116 HD11 :: 0.349 HD12 :: 0.349 HD13 :: 0.349 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 :: 122.100 Ave N Shift Values>> N :: 121.6(4.72) 1.P31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.95 P 0.03 A 0.01 C Shift Assignments>> C :: 175.340 CA :: 62.720 CB :: 36.350 CG :: 24.659 CD :: 50.770 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 :: 4.840 HB2 :: 2.277 HB3 :: 2.161 HG2 :: 1.957 HG3 :: 1.957 HD2 :: 3.721 HD3 :: 3.521 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.F32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 F 0.32 Y 0.31 C Shift Assignments>> C :: 171.870 CA :: 56.300 CB :: 40.253 CD1 :: 133.671 CE1 :: 130.130 CZ :: 127.766 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 :: 7.627 HA :: 4.959 HB2 :: 3.357 HB3 :: 3.275 HD1 :: 7.117 HD2 :: 7.117 HE1 :: 7.155 HE2 :: 7.155 HZ :: 7.058 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 :: 112.880 Ave N Shift Values>> N :: 120.69(4.18) 1.E33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.74 M 0.15 E 0.09 C Shift Assignments>> C :: 175.630 CA :: 54.450 CB :: 33.814 CG :: 37.056 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 :: 8.728 HA :: 5.309 HB2 :: 1.923 HB3 :: 2.033 HG2 :: 2.200 HG3 :: 2.145 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 :: 118.710 Ave N Shift Values>> N :: 120.68(3.68) 1.S34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.560 CA :: 55.830 CB :: 64.270 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.964 HA :: 4.803 HB2 :: 4.039 HB3 :: 3.430 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 :: 115.150 Ave N Shift Values>> N :: 116.3(3.95) 1.V35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.54 C 0.44 HN Overlap>> 1.D65 1.D65 C Shift Assignments>> C :: 174.950 CA :: 61.350 CB :: 35.676 CG1 :: 21.267 CG2 :: 21.631 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 :: 8.322 HA :: 4.724 HB :: 1.810 HG11 :: 0.815 HG12 :: 0.815 HG13 :: 0.815 HG21 :: 0.856 HG22 :: 0.856 HG23 :: 0.856 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 :: 121.700 Ave N Shift Values>> N :: 121.02(4.96) 1.V36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.78 C 0.21 C Shift Assignments>> C :: 175.490 CA :: 63.900 CB :: 33.593 CG1 :: 22.882 CG2 :: 23.274 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 :: 9.200 HA :: 3.999 HB :: 2.154 HG11 :: 0.756 HG12 :: 0.756 HG13 :: 0.756 HG21 :: 0.941 HG22 :: 0.941 HG23 :: 0.941 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 :: 123.870 Ave N Shift Values>> N :: 121.02(4.96) 1.N37 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> D 0.31 L 0.21 C 0.12 N 0.11 K 0.08 R 0.06 F 0.03 Y 0.02 G 0.01 C Shift Assignments>> C :: 174.040 CA :: 51.960 CB :: 41.996 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 :: 8.739 HA :: 5.276 HB2 :: 2.114 HB3 :: 1.213(S) HD21 :: 6.813 HD22 :: 6.780 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 :: 123.895 ND2 :: 112.901 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.T38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.81 C 0.18 C Shift Assignments>> C :: 174.910 CA :: 59.740 CB :: 71.332 CG2 :: 21.579 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 :: 8.703 HA :: 5.323 HB :: 4.300 HG21 :: 0.968 HG22 :: 0.968 HG23 :: 0.968 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 :: 111.440 Ave N Shift Values>> N :: 115.7(5.05) 1.W39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.57 C 0.42 C Shift Assignments>> C :: 175.270 CA :: 57.040 CB :: 29.089 CD1 :: 126.761 CE3 :: 121.189 CZ2 :: 114.071 CZ3 :: 121.360 CH2 :: 124.148 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 :: 8.489 HA :: 4.838 HB2 :: 2.857 HB3 :: 3.265 HD1 :: 7.349 HE1 :: 10.201 HE3 :: 7.571 HZ2 :: 7.307 HZ3 :: 6.910 HH2 :: 6.967 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 :: 125.321 NE1 :: 130.070 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.G40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.59 C 0.25 P 0.05 A 0.03 L 0.02 N 0.01 HN Overlap>> 1.G114 1.G114 C Shift Assignments>> CA :: 47.619 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.596 HA2 :: 3.528 HA3 :: 3.465 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 113.220 Ave N Shift Values>> N :: 109.91(4.29) 1.E41 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.66 I 0.09 K 0.09 E 0.09 L 0.02 M 0.01 C Shift Assignments>> C :: 171.810 CA :: 55.390 CB :: 26.025 CG :: 37.019 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 :: 7.870 HA :: 3.717 HB2 :: 1.136(S) HB3 :: 1.136(S) HG2 :: 1.777 HG3 :: 2.004 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 :: 128.227 Ave N Shift Values>> N :: 120.68(3.68) 1.E42 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.37 C 0.29 Q 0.17 K 0.1 E 0.02 R 0.01 C Shift Assignments>> C :: 175.680 CA :: 53.860 CB :: 31.149 CG :: 32.745 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 :: 7.158 HA :: 4.811 HB2 :: 2.343 HB3 :: 1.658 HG2 :: 1.812 HG3 :: 1.400(S) 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 :: 116.880 Ave N Shift Values>> N :: 120.68(3.68) 1.I43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.7 G 0.15 I 0.12 A 0.01 C Shift Assignments>> C :: 174.420 CA :: 59.250 CB :: 43.278 CG1 :: 29.339 CG2 :: 18.124 CD1 :: 16.215 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 :: 8.226 HA :: 4.934 HB :: 1.558 HG12 :: 1.711 HG13 :: 0.927 HG21 :: 0.997 HG22 :: 0.997 HG23 :: 0.997 HD11 :: 0.564 HD12 :: 0.564 HD13 :: 0.564 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 :: 125.120 Ave N Shift Values>> N :: 121.6(4.72) 1.Y44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.53 C 0.41 G 0.05 C Shift Assignments>> C :: 174.150 CA :: 55.740 CB :: 42.606 CD1 :: 132.808 CE1 :: 117.989 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 :: 9.318 HA :: 6.008 HB2 :: 2.774 HB3 :: 2.774 HD1 :: 6.572 HD2 :: 6.572 HE1 :: 6.438 HE2 :: 6.438 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 :: 124.370 Ave N Shift Values>> N :: 120.79(4.69) 1.F45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 Y 0.33 F 0.3 C Shift Assignments>> C :: 173.730 CA :: 55.140 CB :: 40.793 CD1 :: 133.609 CE1 :: 129.251 CZ :: 129.159 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 :: 8.211 HA :: 5.088 HB2 :: 3.195 HB3 :: 3.128 HD1 :: 7.000 HD2 :: 7.000 HE1 :: 6.965 HE2 :: 6.965 HZ :: 6.850 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 :: 114.110 Ave N Shift Values>> N :: 120.69(4.18) 1.S46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.360 CA :: 59.960 CB :: 63.980 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.523 HA :: 4.316 HB2 :: 3.991 HB3 :: 3.991 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 :: 117.150 Ave N Shift Values>> N :: 116.3(3.95) 1.T47 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>> CA :: 59.160 CB :: 70.385 CG2 :: 22.882 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 :: 8.225 HA :: 4.971 HB :: 3.792 HG21 :: 1.522 HG22 :: 1.522 HG23 :: 1.522 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 :: 113.910 Ave N Shift Values>> N :: 115.7(5.05) 1.P48 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.72 C 0.26 C Shift Assignments>> C :: 175.940 CA :: 62.410 CB :: 31.770 CG :: 27.656 CD :: 49.427 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 :: 4.585 HB2 :: 1.723 HB3 :: 2.192 HG2 :: 1.524 HG3 :: 1.125 HD2 :: 2.020(S) HD3 :: 2.585 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.V49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.54 C 0.45 C Shift Assignments>> C :: 174.070 CA :: 60.840 CB :: 34.134 CG1 :: 20.891 CG2 :: 23.103 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 :: 7.458 HA :: 4.178 HB :: 1.693 HG11 :: 0.523 HG12 :: 0.523 HG13 :: 0.523 HG21 :: 0.588 HG22 :: 0.588 HG23 :: 0.588 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 :: 114.800 Ave N Shift Values>> N :: 121.02(4.96) 1.N50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.44 D 0.26 C 0.13 L 0.05 F 0.04 Y 0.04 C Shift Assignments>> C :: 173.550 CA :: 51.610 CB :: 39.730 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 :: 8.897 HA :: 4.684 HB2 :: 2.965 HB3 :: 2.389 HD21 :: 7.400 HD22 :: 6.705 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 :: 126.400 ND2 :: 109.773 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.V51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.54 C 0.45 C Shift Assignments>> C :: 174.350 CA :: 61.280 CB :: 35.206 CG1 :: 21.870 CG2 :: 22.611 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 :: 7.587 HA :: 4.148 HB :: 1.513 HG11 :: 0.815 HG12 :: 0.815 HG13 :: 0.815 HG21 :: 0.615 HG22 :: 0.615 HG23 :: 0.615 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 :: 122.670 Ave N Shift Values>> N :: 121.02(4.96) 1.Q52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.24 C 0.24 K 0.2 E 0.15 M 0.1 R 0.02 C Shift Assignments>> C :: 176.240 CA :: 56.560 CB :: 29.745 CG :: 34.124 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 :: 8.337 HA :: 4.094 HB2 :: 1.776 HB3 :: 2.066 HG2 :: 2.237 HG3 :: 2.237 HE21 :: 7.543 HE22 :: 6.417 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 :: 122.670 NE2 :: 113.619 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.K53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.38 R 0.17 M 0.04 C Shift Assignments>> C :: 176.010 CA :: 56.960 CB :: 33.000 CG :: 24.724 CD :: 29.523 CE :: 42.100 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 :: 7.363 HA :: 3.994 HB2 :: 1.516 HB3 :: 1.659 HG2 :: 1.269 HG3 :: 1.099 HD2 :: 1.564 HD3 :: 1.564 HE2 :: 2.860 HE3 :: 2.860 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 :: 119.940 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.M54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.37 C 0.37 M 0.24 I 0.01 HN Overlap>> 1.E18 1.E18 C Shift Assignments>> C :: 174.630 CA :: 54.530 CB :: 36.912 CG :: 32.349 CE :: 17.823 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 :: 8.797 HA :: 4.449 HB2 :: 2.191 HB3 :: 1.191 HG2 :: 2.562 HG3 :: 2.272 HE1 :: 1.996 HE2 :: 1.996 HE3 :: 1.996 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 :: 124.720 Ave N Shift Values>> N :: 120.1(3.88) 1.E55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 I 0.33 E 0.28 K 0.02 M 0.01 C Shift Assignments>> C :: 176.930 CA :: 59.910 CB :: 29.611 CG :: 37.195 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 :: 9.773 HA :: 4.029 HB2 :: 1.728 HB3 :: 2.051 HG2 :: 2.228 HG3 :: 2.724 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 :: 124.250 Ave N Shift Values>> N :: 120.68(3.68) 1.N56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.49 D 0.23 C 0.15 L 0.03 F 0.03 Y 0.03 C Shift Assignments>> CA :: 50.680 CB :: 39.563 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 :: 8.371 HA :: 5.163 HB2 :: 2.955 HB3 :: 2.417 HD21 :: 8.121 HD22 :: 7.095 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 :: 115.600 ND2 :: 112.573 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.P57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.75 C 0.23 C Shift Assignments>> C :: 178.760 CA :: 62.630 CB :: 32.197 CG :: 27.205 CD :: 49.566 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 :: 4.854 HB2 :: 1.956 HB3 :: 1.830 HG2 :: 2.190 HG3 :: 2.006 HD2 :: 3.518 HD3 :: 3.267 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.R58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 K 0.21 R 0.18 G 0.09 C Shift Assignments>> C :: 175.430 CA :: 54.210 CB :: 34.208 CG :: 26.510 CD :: 43.095 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 :: 9.448 HA :: 4.636 HB2 :: 1.951 HB3 :: 1.528 HG2 :: 1.671 HG3 :: 1.593 HD2 :: 3.223 HD3 :: 3.301 HE :: 6.880 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 :: 122.690 NE :: 85.757 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.E59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 E 0.35 M 0.09 I 0.06 K 0.01 C Shift Assignments>> C :: 175.210 CA :: 56.470 CB :: 31.074 CG :: 37.581 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 :: 8.694 HA :: 4.096 HB2 :: 2.069 HB3 :: 1.786 HG2 :: 2.082 HG3 :: 2.224 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 :: 119.520 Ave N Shift Values>> N :: 120.68(3.68) 1.V60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.56 C 0.42 C Shift Assignments>> C :: 174.900 CA :: 61.058 CB :: 35.056 CG1 :: 21.966 CG2 :: 21.196 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 :: 7.296 HA :: 4.471 HB :: 1.804 HG11 :: 0.810 HG12 :: 0.810 HG13 :: 0.810 HG21 :: 0.766 HG22 :: 0.766 HG23 :: 0.766 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 :: 117.380 Ave N Shift Values>> N :: 121.02(4.96) 1.V61 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.95 V 0.02 A 0.01 C Shift Assignments>> C :: 172.880 CA :: 58.820 CB :: 33.464 CG1 :: 16.638 CG2 :: 21.621 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 :: 8.064 HA :: 4.540 HB :: 2.229 HG11 :: -0.697(S) HG12 :: -0.697(S) HG13 :: -0.697(S) HG21 :: 0.039 HG22 :: 0.039 HG23 :: 0.039 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 :: 117.630 Ave N Shift Values>> N :: 121.02(4.96) 1.E62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 M 0.3 E 0.18 Q 0.02 C Shift Assignments>> C :: 176.350 CA :: 53.640 CB :: 32.360 CG :: 36.181 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 :: 8.620 HA :: 4.543 HB2 :: 1.943 HB3 :: 1.659 HG2 :: 2.222 HG3 :: 2.100 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 :: 118.060 Ave N Shift Values>> N :: 120.68(3.68) 1.I63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.88 C 0.11 C Shift Assignments>> C :: 177.940 CA :: 64.410 CB :: 37.674 CG1 :: 29.558 CG2 :: 17.771 CD1 :: 13.543 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 :: 8.520 HA :: 3.275 HB :: 1.670 HG12 :: 1.600 HG13 :: 0.726 HG21 :: 0.881 HG22 :: 0.881 HG23 :: 0.881 HD11 :: 0.825 HD12 :: 0.825 HD13 :: 0.825 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 :: 120.310 Ave N Shift Values>> N :: 121.6(4.72) 1.G64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 L 0.08 C 0.07 R 0.03 C Shift Assignments>> C :: 173.290 CA :: 45.359 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.091 HA2 :: 3.563 HA3 :: 4.774 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 116.340 Ave N Shift Values>> N :: 109.91(4.29) 1.D65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.22 L 0.2 R 0.13 F 0.11 C 0.11 D 0.1 Y 0.08 I 0.01 N 0.01 HN Overlap>> 1.V35 1.V35 C Shift Assignments>> C :: 175.180 CA :: 56.630 CB :: 41.980 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 :: 8.335 HA :: 4.914 HB2 :: 2.362 HB3 :: 2.985 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 :: 121.610 Ave N Shift Values>> N :: 120.73(4.2) 1.V66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.55 C 0.44 C Shift Assignments>> C :: 176.170 CA :: 60.240 CB :: 33.783 CG1 :: 21.081 CG2 :: 22.187 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 :: 7.580 HA :: 5.085 HB :: 1.383 HG11 :: 1.033 HG12 :: 1.033 HG13 :: 1.033 HG21 :: 0.869 HG22 :: 0.869 HG23 :: 0.869 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 :: 117.330 Ave N Shift Values>> N :: 121.02(4.96) 1.G67 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.35 L 0.27 G 0.11 C 0.08 D 0.04 F 0.04 K 0.03 Y 0.02 C Shift Assignments>> C :: 171.740 CA :: 43.580 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.592 HA2 :: 5.899(S) HA3 :: 3.200 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.440 Ave N Shift Values>> N :: 109.91(4.29) 1.Y68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.23 K 0.19 R 0.14 D 0.12 C 0.1 F 0.08 Y 0.06 N 0.01 C Shift Assignments>> C :: 173.860 CA :: 55.900 CB :: 42.170 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 :: 9.146 HA :: 5.809 HB2 :: 2.759 HB3 :: 2.759 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 :: 119.980 Ave N Shift Values>> N :: 120.79(4.69) 1.W69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.59 C 0.4 C Shift Assignments>> CA :: 53.390 CB :: 30.442 CD1 :: 126.895 CZ2 :: 114.679 CZ3 :: 122.021 CH2 :: 125.211 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 :: 9.213 HA :: 5.268 HB2 :: 2.799 HB3 :: 3.019 HD1 :: 7.267 HE1 :: 10.279 HZ2 :: 7.104 HZ3 :: 6.623 HH2 :: 6.782 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 :: 132.150 NE1 :: 132.318 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.P70 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Indeterminable PRTL>> C 0.58 P 0.41 C Shift Assignments>> CA :: 66.753 CB :: 30.054 CG :: 27.594 CD :: 51.454 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 :: 3.923 HB2 :: 2.507 HB3 :: 1.903 HG2 :: 2.115 HG3 :: 2.297 HD2 :: 4.640(A) HD3 :: 3.612 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.P71 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Anomalous N Shifts: Indeterminable PRTL>> P 0.84 C 0.12 G 0.02 C Shift Assignments>> CA :: 65.803 CB :: 30.620 CG :: 28.161 CD :: 49.046 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 :: 3.716 HB2 :: 1.618 HB3 :: -0.320(A) HG2 :: 1.410 HG3 :: 1.120 HD2 :: 0.793(A) HD3 :: 3.002 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) SRO Rule Breaks>> (HD2 > HG2 : 0.9934) (HD2 > HG3 : 0.9949) 1.G72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.38 L 0.22 R 0.2 C 0.1 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 173.220 CA :: 44.350 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> HA2 :: 3.168 HA3 :: 4.271 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) 1.K73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 R 0.34 K 0.22 M 0.01 G 0.01 HN Overlap>> 1.A92 1.A92 C Shift Assignments>> C :: 177.420 CA :: 57.790 CB :: 29.398 CG :: 25.550 CD :: 30.000 CE :: 42.163 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 :: 7.989 HA :: 3.566 HB2 :: 2.277 HB3 :: 1.939 HG2 :: 1.296 HG3 :: 1.296 HD2 :: 1.497 HD3 :: 1.497 HE2 :: 2.790 HE3 :: 2.790 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 :: 121.515 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.A74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.47 C 0.16 A 0.15 M 0.1 K 0.08 R 0.01 C Shift Assignments>> C :: 177.490 CA :: 51.900 CB :: 23.090 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 6.969 HA :: 5.123 HB1 :: 1.290 HB2 :: 1.290 HB3 :: 1.290 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 118.780 Ave N Shift Values>> N :: 123.23(3.7) 1.L75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.46 C 0.22 G 0.17 R 0.12 C Shift Assignments>> C :: 175.540 CA :: 54.000 CB :: 43.858 CG :: 27.808 CD1 :: 25.372 CD2 :: 25.153 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 :: 8.032 HA :: 4.844 HB2 :: 0.752 HB3 :: 0.752 HG :: 1.542 HD11 :: 0.867 HD12 :: 0.867 HD13 :: 0.867 HD21 :: 0.805 HD22 :: 0.805 HD23 :: 0.805 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 :: 122.780 Ave N Shift Values>> N :: 121.98(4.07) 1.C76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.2 C 0.17 K 0.16 R 0.14 W 0.11 E 0.09 Q 0.06 V 0.01 C Shift Assignments>> C :: 173.080 CA :: 55.850 CB :: 31.922 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.813 HA :: 5.178 HB2 :: 2.148 HB3 :: 2.301 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 :: 117.950 Ave N Shift Values>> N :: 119.95(4.79) 1.L77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.28 G 0.25 C 0.24 R 0.2 C Shift Assignments>> C :: 175.040 CA :: 53.510 CB :: 44.058 CG :: 28.395 CD1 :: 26.219 CD2 :: 25.722 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 :: 9.621 HA :: 4.741 HB2 :: 1.912 HB3 :: 1.494 HG :: 1.663 HD11 :: 1.007 HD12 :: 1.007 HD13 :: 1.007 HD21 :: 0.887 HD22 :: 0.887 HD23 :: 0.887 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 :: 123.140 Ave N Shift Values>> N :: 121.98(4.07) 1.F78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.36 Y 0.35 C 0.28 C Shift Assignments>> C :: 174.830 CA :: 58.140 CB :: 39.603 CD1 :: 132.831 CE1 :: 130.004 CZ :: 128.549 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 :: 7.930 HA :: 4.809 HB2 :: 2.744 HB3 :: 3.158 HD1 :: 7.122 HD2 :: 7.122 HE1 :: 6.743 HE2 :: 6.743 HZ :: 6.825 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 :: 120.120 Ave N Shift Values>> N :: 120.69(4.18) 1.F79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.38 C 0.31 F 0.29 HN Overlap>> 1.D113 1.D113 C Shift Assignments>> C :: 172.070 CA :: 55.630 CB :: 39.003 CD1 :: 133.426 CE1 :: 130.462 CZ :: 129.587 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 :: 8.038 HA :: 5.029 HB2 :: 2.505 HB3 :: 3.441 HD1 :: 6.811 HD2 :: 6.811 HE1 :: 6.942 HE2 :: 6.942 HZ :: 7.048 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 :: 119.040 Ave N Shift Values>> N :: 120.69(4.18) 1.G80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 L 0.08 C 0.07 R 0.03 C Shift Assignments>> C :: 170.830 CA :: 45.342 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.489 HA2 :: 3.653 HA3 :: 4.283 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.010 Ave N Shift Values>> N :: 109.91(4.29) 1.K81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 K 0.33 R 0.28 M 0.01 G 0.01 HN Overlap>> 1.E19 1.E19 C Shift Assignments>> C :: 177.530 CA :: 57.730 CB :: 33.293 CG :: 25.847 CD :: 29.703 CE :: 42.282 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 :: 8.186 HA :: 4.003 HB2 :: 1.560 HB3 :: 1.560 HG2 :: 1.209 HG3 :: 1.366 HD2 :: 1.455 HD3 :: 1.523 HE2 :: 2.759 HE3 :: 2.759 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 :: 117.260 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.T82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.79 C 0.18 S 0.01 C Shift Assignments>> CA :: 59.230 CB :: 68.310 CG2 :: 21.304 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 :: 8.076 HA :: 4.423 HB :: 3.798 HG21 :: 1.180 HG22 :: 1.180 HG23 :: 1.180 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 :: 113.611 Ave N Shift Values>> N :: 115.7(5.05) 1.P83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.85 C 0.14 C Shift Assignments>> CA :: 63.743 CB :: 32.167 CG :: 27.552 CD :: 50.000 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 :: 4.090 HB2 :: 2.127 HB3 :: 2.127 HG2 :: 1.285 HG3 :: 1.285 HD2 :: 2.687 HD3 :: 2.687 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.M84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> M 0.46 C 0.41 A 0.12 C Shift Assignments>> C :: 175.920 CA :: 55.880 CB :: 33.070 CG :: 32.753 CE :: 17.165 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>> HA :: 4.220 HB2 :: 2.006 HB3 :: 1.837 HG2 :: 2.446 HG3 :: 2.513 HE1 :: 2.042 HE2 :: 2.042 HE3 :: 2.042 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) 1.S85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.380 CA :: 58.230 CB :: 64.290 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.256 HA :: 4.401 HB2 :: 3.717 HB3 :: 3.856 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 :: 111.370 Ave N Shift Values>> N :: 116.3(3.95) 1.D86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.27 L 0.2 K 0.13 C 0.1 N 0.08 F 0.07 Y 0.06 R 0.04 HN Overlap>> 1.L6 1.L6 C Shift Assignments>> C :: 175.860 CA :: 54.150 CB :: 41.360 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 :: 8.517 HA :: 4.692 HB2 :: 2.624 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 :: 123.320 Ave N Shift Values>> N :: 120.73(4.2) 1.D87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.22 D 0.22 K 0.17 C 0.1 F 0.08 Y 0.06 R 0.06 N 0.05 C Shift Assignments>> C :: 175.270 CA :: 54.870 CB :: 41.580 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 :: 8.412 HA :: 4.529 HB2 :: 2.567 HB3 :: 2.623 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 :: 118.900 Ave N Shift Values>> N :: 120.73(4.2) 1.K88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.42 C 0.38 R 0.1 M 0.05 G 0.01 C Shift Assignments>> C :: 174.870 CA :: 54.580 CB :: 34.047 CG :: 24.014 CD :: 29.552 CE :: 42.221 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 :: 7.869 HA :: 4.372 HB2 :: 1.621 HB3 :: 1.729 HG2 :: 1.305 HG3 :: 1.200 HD2 :: 1.499 HD3 :: 1.563 HE2 :: 2.852 HE3 :: 2.852 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 :: 118.310 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.I89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.66 C 0.32 C Shift Assignments>> C :: 174.480 CA :: 61.890 CB :: 36.398 CG1 :: 27.328 CG2 :: 19.039 CD1 :: 13.553 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 :: 8.604 HA :: 3.873 HB :: 1.707 HG12 :: 1.377 HG13 :: 0.684 HG21 :: 0.548 HG22 :: 0.548 HG23 :: 0.548 HD11 :: 0.559 HD12 :: 0.559 HD13 :: 0.559 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 :: 121.510 Ave N Shift Values>> N :: 121.6(4.72) 1.Q90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.44 C 0.38 Q 0.1 E 0.04 K 0.01 C Shift Assignments>> CA :: 52.110 CB :: 32.045 CG :: 34.170 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 :: 8.015 HA :: 5.033 HB2 :: 1.883 HB3 :: 1.579 HG2 :: 2.179 HG3 :: 2.328 HE21 :: 7.115 HE22 :: 6.659 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 :: 126.430 NE2 :: 109.819 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.P91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.64 C 0.35 C Shift Assignments>> C :: 175.210 CA :: 61.680 CB :: 32.854 CG :: 26.911 CD :: 50.175 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 :: 4.508 HB2 :: 2.042 HB3 :: 2.204 HG2 :: 1.475 HG3 :: 1.670 HD2 :: 3.740 HD3 :: 3.052 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.A92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.52 A 0.37 C 0.04 I 0.03 V 0.01 HN Overlap>> 1.K73 1.K73 C Shift Assignments>> CA :: 55.270 CB :: 18.838 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.014 HA :: 3.931 HB1 :: 0.796 HB2 :: 0.796 HB3 :: 0.796 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.420 Ave N Shift Values>> N :: 123.23(3.7) 1.S93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 171.670 CA :: 57.240 CB :: 63.620 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.391 HA :: 4.223 HB2 :: 4.077 HB3 :: 4.032 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 :: 105.210 Ave N Shift Values>> N :: 116.3(3.95) 1.A94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.61 M 0.33 C 0.03 L 0.01 C Shift Assignments>> C :: 177.150 CA :: 53.810 CB :: 19.219 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.276 HA :: 4.113 HB1 :: 1.185 HB2 :: 1.185 HB3 :: 1.185 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 117.972 Ave N Shift Values>> N :: 123.23(3.7) 1.V95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.75 V 0.14 A 0.07 I 0.01 C Shift Assignments>> C :: 174.060 CA :: 57.510 CB :: 35.106 CG1 :: 22.547 CG2 :: 19.414 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 :: 7.886 HA :: 5.037 HB :: 1.832 HG11 :: 1.091 HG12 :: 1.091 HG13 :: 1.091 HG21 :: 0.746 HG22 :: 0.746 HG23 :: 0.746 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 :: 108.410 Ave N Shift Values>> N :: 121.02(4.96) 1.N96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.48 D 0.24 C 0.15 L 0.04 F 0.03 Y 0.03 C Shift Assignments>> C :: 176.600 CA :: 50.790 CB :: 39.637 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 :: 9.178 HA :: 4.897 HB2 :: 3.167 HB3 :: 2.604 HD21 :: 6.658 HD22 :: 6.799 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 :: 121.250 ND2 :: 106.888 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.V97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.86 C 0.13 C Shift Assignments>> C :: 176.450 CA :: 66.030 CB :: 30.552 CG1 :: 21.101 CG2 :: 24.349 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 :: 8.503 HA :: 4.421 HB :: 2.147 HG11 :: 1.030 HG12 :: 1.030 HG13 :: 1.030 HG21 :: 0.888 HG22 :: 0.888 HG23 :: 0.888 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 :: 129.670 Ave N Shift Values>> N :: 121.02(4.96) 1.I98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.69 C 0.29 C Shift Assignments>> C :: 174.270 CA :: 61.240 CB :: 39.812 CG1 :: 25.479 CG2 :: 17.085 CD1 :: 14.751 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 :: 8.129 HA :: 4.628 HB :: 2.156 HG12 :: 0.982 HG13 :: 0.982 HG21 :: 0.475 HG22 :: 0.475 HG23 :: 0.475 HD11 :: 0.683 HD12 :: 0.683 HD13 :: 0.683 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 :: 119.500 Ave N Shift Values>> N :: 121.6(4.72) 1.G99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.76 C 0.17 L 0.04 C Shift Assignments>> C :: 172.410 CA :: 46.906 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.668 HA2 :: 4.435 HA3 :: 4.637 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.230 Ave N Shift Values>> N :: 109.91(4.29) 1.K100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 R 0.34 K 0.09 G 0.03 C Shift Assignments>> C :: 175.740 CA :: 54.150 CB :: 37.900 CG :: 24.863 CD :: 29.644 CE :: 42.327 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 :: 8.347 HA :: 5.540 HB2 :: 1.703 HB3 :: 1.795 HG2 :: 0.716 HG3 :: 0.716 HD2 :: 1.462 HD3 :: 1.462 HE2 :: 2.771 HE3 :: 2.771 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 :: 119.730 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.I101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.81 C 0.18 C Shift Assignments>> C :: 176.010 CA :: 62.940 CB :: 39.212 CG1 :: 28.361 CG2 :: 18.400 CD1 :: 15.247 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 :: 9.542 HA :: 4.184 HB :: 1.790 HG12 :: 0.840 HG13 :: 1.750 HG21 :: 0.813 HG22 :: 0.813 HG23 :: 0.813 HD11 :: 0.850 HD12 :: 0.850 HD13 :: 0.850 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 :: 124.050 Ave N Shift Values>> N :: 121.6(4.72) 1.V102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.63 C 0.35 I 0.01 HN Overlap>> 1.N17 1.N17 C Shift Assignments>> C :: 175.730 CA :: 62.030 CB :: 33.307 CG1 :: 22.689 CG2 :: 19.316 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 :: 8.728 HA :: 4.591 HB :: 2.285 HG11 :: 0.935 HG12 :: 0.935 HG13 :: 0.935 HG21 :: 0.724 HG22 :: 0.724 HG23 :: 0.724 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 :: 121.420 Ave N Shift Values>> N :: 121.02(4.96) 1.E103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.74 M 0.12 E 0.11 C Shift Assignments>> C :: 176.520 CA :: 56.550 CB :: 34.180 CG :: 36.702 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 :: 7.912 HA :: 4.661 HB2 :: 1.790 HB3 :: 1.992 HG2 :: 2.274 HG3 :: 2.146 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 :: 120.750 Ave N Shift Values>> N :: 120.68(3.68) 1.G104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 C 0.14 L 0.04 C Shift Assignments>> C :: 175.230 CA :: 46.616 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.934 HA2 :: 3.932 HA3 :: 4.345 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.140 Ave N Shift Values>> N :: 109.91(4.29) 1.L105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.42 C 0.37 R 0.15 G 0.05 C Shift Assignments>> C :: 179.250 CA :: 59.400 CB :: 42.743 CG :: 27.139 CD1 :: 25.747 CD2 :: 25.459 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 :: 8.158 HA :: 3.702 HB2 :: 1.701 HB3 :: 1.573 HG :: 1.629 HD11 :: 0.903 HD12 :: 0.903 HD13 :: 0.903 HD21 :: 0.986 HD22 :: 0.986 HD23 :: 0.986 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 :: 121.390 Ave N Shift Values>> N :: 121.98(4.07) 1.E106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 E 0.32 I 0.17 K 0.09 Q 0.03 M 0.01 C Shift Assignments>> C :: 178.120 CA :: 58.720 CB :: 28.920 CG :: 36.285 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 :: 8.944 HA :: 3.978 HB2 :: 1.990 HB3 :: 1.932 HG2 :: 2.287 HG3 :: 2.287 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 :: 113.860 Ave N Shift Values>> N :: 120.68(3.68) 1.D107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.18 D 0.18 K 0.17 F 0.12 C 0.11 Y 0.1 R 0.04 N 0.04 I 0.01 C Shift Assignments>> C :: 178.190 CA :: 55.780 CB :: 41.191 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 :: 7.538 HA :: 4.344 HB2 :: 2.871 HB3 :: 2.418 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 :: 119.620 Ave N Shift Values>> N :: 120.73(4.2) 1.L108 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.84 L 0.11 A 0.03 C Shift Assignments>> C :: 177.920 CA :: 57.000 CB :: 38.445 CG :: 26.343 CD1 :: 27.686 CD2 :: 22.337 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 :: 7.115 HA :: 3.357 HB2 :: 0.739 HB3 :: -0.024(S) HG :: 1.714 HD11 :: 0.770 HD12 :: 0.770 HD13 :: 0.770 HD21 :: 0.420 HD22 :: 0.420 HD23 :: 0.420 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 :: 117.551 Ave N Shift Values>> N :: 121.98(4.07) 1.K109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.37 C 0.36 R 0.22 M 0.03 C Shift Assignments>> C :: 176.650 CA :: 57.792 CB :: 32.184 CG :: 25.206 CD :: 29.511 CE :: 42.172 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 :: 7.179 HA :: 3.879 HB2 :: 1.722 HB3 :: 1.838 HG2 :: 1.467 HG3 :: 1.332 HD2 :: 1.678 HD3 :: 1.722 HE2 :: 2.881 HE3 :: 3.003 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 :: 115.080 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.38 C 0.37 R 0.18 M 0.04 C Shift Assignments>> C :: 175.890 CA :: 56.550 CB :: 32.972 CG :: 24.763 CD :: 29.828 CE :: 42.109 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 :: 7.364 HA :: 4.016 HB2 :: 1.657 HB3 :: 1.515 HG2 :: 1.271 HG3 :: 1.095 HD2 :: 1.553 HD3 :: 1.673 HE2 :: 2.864 HE3 :: 2.864 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 :: 116.720 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.I111 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.69 I 0.29 C Shift Assignments>> C :: 176.180 CA :: 59.950 CB :: 34.946 CG1 :: 27.195 CG2 :: 18.843 CD1 :: 10.974 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 :: 6.626 HA :: 3.531 HB :: 1.492 HG12 :: -0.075(S) HG13 :: 1.085 HG21 :: 0.321 HG22 :: 0.321 HG23 :: 0.321 HD11 :: -0.024 HD12 :: -0.024 HD13 :: -0.024 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 :: 117.000 Ave N Shift Values>> N :: 121.6(4.72) 1.K112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.46 C 0.36 R 0.13 G 0.02 M 0.01 C Shift Assignments>> C :: 175.750 CA :: 54.430 CB :: 33.936 CG :: 24.769 CD :: 28.510 CE :: 42.405 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 :: 8.388 HA :: 4.356 HB2 :: 1.792 HB3 :: 1.725 HG2 :: 1.425 HG3 :: 1.476 HD2 :: 1.592 HD3 :: 1.604 HE2 :: 2.916 HE3 :: 2.766 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 :: 128.240 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.D113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.21 L 0.2 R 0.14 F 0.11 C 0.11 D 0.09 Y 0.08 I 0.01 HN Overlap>> 1.F79 1.F79 C Shift Assignments>> C :: 177.630 CA :: 56.660 CB :: 42.033 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 :: 8.103 HA :: 4.026 HB2 :: 2.765 HB3 :: 2.478 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 :: 119.040 Ave N Shift Values>> N :: 120.73(4.2) 1.G114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 L 0.08 C 0.07 R 0.02 HN Overlap>> 1.G40 1.G40 C Shift Assignments>> C :: 174.640 CA :: 45.403 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.635 HA2 :: 3.547 HA3 :: 4.229 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 113.170 Ave N Shift Values>> N :: 109.91(4.29) 1.E115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 E 0.26 I 0.18 M 0.03 C Shift Assignments>> C :: 175.840 CA :: 58.180 CB :: 30.902 CG :: 38.307 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 :: 7.346 HA :: 4.113 HB2 :: 1.771 HB3 :: 2.250 HG2 :: 2.832 HG3 :: 2.144 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 :: 119.440 Ave N Shift Values>> N :: 120.68(3.68) 1.K116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.36 C 0.36 R 0.23 M 0.02 G 0.01 C Shift Assignments>> C :: 176.050 CA :: 56.820 CB :: 33.358 CG :: 25.359 CD :: 29.258 CE :: 42.306 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 :: 9.107 HA :: 4.529 HB2 :: 1.694 HB3 :: 1.563 HG2 :: 1.350 HG3 :: 1.562 HD2 :: 1.601 HD3 :: 1.601 HE2 :: 2.761 HE3 :: 2.866 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 :: 121.800 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.V117 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.89 A 0.06 V 0.02 I 0.01 C Shift Assignments>> C :: 171.630 CA :: 57.440 CB :: 34.614 CG1 :: 17.227 CG2 :: 22.058 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 :: 7.860 HA :: 4.668 HB :: 1.239 HG11 :: -0.429(S) HG12 :: -0.429(S) HG13 :: -0.429(S) HG21 :: -0.512(S) HG22 :: -0.512(S) HG23 :: -0.512(S) 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 :: 118.940 Ave N Shift Values>> N :: 121.02(4.96) 1.A118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.85 M 0.08 C 0.03 L 0.01 C Shift Assignments>> C :: 174.660 CA :: 50.370 CB :: 20.250 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.310 HA :: 4.506 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 :: 130.190 Ave N Shift Values>> N :: 123.23(3.7) 1.V119 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.68 C 0.31 C Shift Assignments>> C :: 175.320 CA :: 61.570 CB :: 31.445 CG1 :: 21.279 CG2 :: 21.896 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 :: 8.295 HA :: 4.096 HB :: 0.718(S) HG11 :: 0.038 HG12 :: 0.038 HG13 :: 0.038 HG21 :: 0.263 HG22 :: 0.263 HG23 :: 0.263 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 :: 123.160 Ave N Shift Values>> N :: 121.02(4.96) 1.R120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 G 0.29 R 0.12 K 0.07 C Shift Assignments>> C :: 175.260 CA :: 53.740 CB :: 34.359 CG :: 26.346 CD :: 43.903 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 :: 8.596 HA :: 4.534 HB2 :: 1.667 HB3 :: 1.729 HG2 :: 1.323 HG3 :: 1.386 HD2 :: 2.965 HD3 :: 2.965 HE :: 7.270 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 :: 123.692 NE :: 84.580 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.F121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.38 F 0.36 C 0.25 C Shift Assignments>> C :: 176.430 CA :: 60.370 CB :: 38.713 CD1 :: 131.474 CE1 :: 131.720 CZ :: 130.378 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 :: 8.585 HA :: 4.591 HB2 :: 3.333 HB3 :: 2.767 HD1 :: 7.320 HD2 :: 7.320 HE1 :: 7.387 HE2 :: 7.387 HZ :: 7.657 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 :: 120.110 Ave N Shift Values>> N :: 120.69(4.18) 1.A122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.78 M 0.16 C 0.03 L 0.01 C Shift Assignments>> C :: 177.430 CA :: 52.050 CB :: 19.865 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.896 HA :: 4.304 HB1 :: 1.286 HB2 :: 1.286 HB3 :: 1.286 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.820 Ave N Shift Values>> N :: 123.23(3.7) 1.S123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.630 CA :: 58.750 CB :: 63.870 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.675 HA :: 4.372 HB2 :: 3.864 HB3 :: 3.840 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 :: 117.330 Ave N Shift Values>> N :: 116.3(3.95) 1.S124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> CA :: 59.860 CB :: 64.764 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.873 HA :: 4.191 HB2 :: 3.780 HB3 :: 3.780 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 :: 122.460 Ave N Shift Values>> N :: 116.3(3.95) ########################################################################### Overall Results: #Consistent: 110 #Clerical: 0 #Suspicious: 12 #Anomalous: 2 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 124 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 123 #Suspicious: 1 C Shift Results: #Consistent: 550 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 895 #Duplicate: 0 #Unknown: 0 #Suspicious: 22 #Anomalous: 3 N Shift Results: #Consistent: 126 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.L5 HB3 = 0.250(S), Expected = 1.57, Std = 0.3600, ChiSquare = 2.4573e-04 1.V22 HG11 = -0.221(S), Expected = 0.84, Std = 0.2700, ChiSquare = 8.5077e-05 1.V22 HG12 = -0.221(S), Expected = 0.84, Std = 0.2700, ChiSquare = 8.5077e-05 1.V22 HG13 = -0.221(S), Expected = 0.84, Std = 0.2700, ChiSquare = 8.5077e-05 1.N37 HB3 = 1.213(S), Expected = 2.78, Std = 0.3400, ChiSquare = 4.0495e-06 1.E41 HB2 = 1.136(S), Expected = 2.04, Std = 0.2200, ChiSquare = 3.9722e-05 1.E41 HB3 = 1.136(S), Expected = 2.04, Std = 0.2300, ChiSquare = 8.4792e-05 1.E42 HG3 = 1.400(S), Expected = 2.31, Std = 0.2100, ChiSquare = 1.4687e-05 1.P48 HD2 = 2.020(S), Expected = 3.64, Std = 0.3600, ChiSquare = 6.7953e-06 1.V61 HG11 = -0.697(S), Expected = 0.84, Std = 0.2700, ChiSquare = 1.2512e-08 1.V61 HG12 = -0.697(S), Expected = 0.84, Std = 0.2700, ChiSquare = 1.2512e-08 1.V61 HG13 = -0.697(S), Expected = 0.84, Std = 0.2700, ChiSquare = 1.2512e-08 1.G67 HA2 = 5.899(S), Expected = 3.95, Std = 0.4000, ChiSquare = 1.1019e-06 1.P70 HD2 = 4.640(A), Expected = 3.64, Std = 0.3600, ChiSquare = 5.4732e-03 1.P71 HB3 = -0.320(A), Expected = 2.05, Std = 0.3900, ChiSquare = 1.2251e-09 1.P71 HD2 = 0.793(A), Expected = 3.64, Std = 0.3600, ChiSquare = 2.6086e-15 1.P71 SRO Rule Break>> HD2 > HG2 : 0.993449781659389 1.P71 SRO Rule Break>> HD2 > HG3 : 0.994893221912721 1.L108 HB3 = -0.024(S), Expected = 1.57, Std = 0.3600, ChiSquare = 9.5209e-06 1.I111 HG12 = -0.075(S), Expected = 1.30, Std = 0.4000, ChiSquare = 5.8711e-04 1.V117 HG11 = -0.429(S), Expected = 0.84, Std = 0.2700, ChiSquare = 2.6016e-06 1.V117 HG12 = -0.429(S), Expected = 0.84, Std = 0.2700, ChiSquare = 2.6016e-06 1.V117 HG13 = -0.429(S), Expected = 0.84, Std = 0.2700, ChiSquare = 2.6016e-06 1.V117 HG21 = -0.512(S), Expected = 0.83, Std = 0.2900, ChiSquare = 3.6995e-06 1.V117 HG22 = -0.512(S), Expected = 0.83, Std = 0.2900, ChiSquare = 3.6995e-06 1.V117 HG23 = -0.512(S), Expected = 0.83, Std = 0.2900, ChiSquare = 3.6995e-06 1.V119 HB = 0.718(S), Expected = 1.99, Std = 0.3300, ChiSquare = 1.1594e-04