Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H6 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H7 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H8 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S9 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H10 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.M11 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.A12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.79 M 0.19 C Shift Assignments>> CA :: 52.323 CB :: 19.015 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.223 HA :: 4.220 HB1 :: 1.321 HB2 :: 1.321 HB3 :: 1.321 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.624 Ave N Shift Values>> N :: 123.23(3.7) 1.Q13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.18 Q 0.16 R 0.14 W 0.13 E 0.13 K 0.12 M 0.07 I 0.01 L 0.01 HN Overlap>> 1.F18 1.F18 C Shift Assignments>> CA :: 55.457 CB :: 29.804 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 :: 8.220 HA :: 4.292 HB2 :: 1.969 HB3 :: 1.897 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 119.119 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.F14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.33 Y 0.31 I 0.13 L 0.07 D 0.06 K 0.04 N 0.01 E 0.01 C Shift Assignments>> CA :: 58.250 CB :: 39.950 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 :: 8.109 HA :: 4.559 HB2 :: 2.952 HB3 :: 2.941 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 121.712 Ave N Shift Values>> N :: 120.69(4.18) 1.P15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> CA :: 63.047 CB :: 31.810 CG :: 27.140 CD :: 50.354 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 :: 4.492 HB2 :: 2.228 HB3 :: 1.890 HG2 :: 1.954 HG3 :: 1.951 HD2 :: 3.728 HD3 :: 3.525 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.T16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 59.526 CB :: 69.603 CG2 :: 21.307 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 :: 8.197 HA :: 4.614 HB :: 4.174 HG21 :: 1.246 HG22 :: 1.246 HG23 :: 1.246 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 115.700 Ave N Shift Values>> N :: 115.7(5.05) 1.P17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> CA :: 63.321 CB :: 31.680 CG :: 27.154 CD :: 50.797 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 :: 4.360 HB2 :: 2.151 HB3 :: 1.639 HG2 :: 1.882 HG3 :: 1.822 HD2 :: 3.788 HD3 :: 3.621 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.F18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.55 F 0.44 HN Overlap>> 1.A91 1.Q13 1.A91 1.Q13 C Shift Assignments>> CA :: 57.648 CB :: 39.165 CD1 :: 131.723 CE1 :: 130.480 CZ :: 131.763 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 :: 8.212 HA :: 4.589 HB2 :: 3.126 HB3 :: 3.012 HD1 :: 7.208 HD2 :: 7.208 HE1 :: 7.245 HE2 :: 7.245 HZ :: 7.645 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 :: 119.185 Ave N Shift Values>> N :: 120.69(4.18) 1.G19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 L 0.12 R 0.06 F 0.01 C Shift Assignments>> CA :: 45.100 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.250 HA2 :: 3.943 HA3 :: 3.935 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.566 Ave N Shift Values>> N :: 109.91(4.29) 1.G20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.76 L 0.13 R 0.06 F 0.01 C Shift Assignments>> CA :: 45.056 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.873 HA2 :: 3.964 HA3 :: 3.955 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.171 Ave N Shift Values>> N :: 109.91(4.29) 1.S21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 57.951 CB :: 63.946 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.274 HA :: 4.523 HB2 :: 3.926 HB3 :: 3.878 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 :: 115.180 Ave N Shift Values>> N :: 116.3(3.95) 1.L22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.91 R 0.04 G 0.02 A 0.01 C Shift Assignments>> CA :: 55.846 CB :: 42.229 CG :: 26.291 CD1 :: 24.730 CD2 :: 23.661 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 :: 8.435 HA :: 4.302 HB2 :: 1.623 HB3 :: 1.576 HG :: 1.540 HD11 :: 0.855 HD12 :: 0.855 HD13 :: 0.855 HD21 :: 0.786 HD22 :: 0.786 HD23 :: 0.786 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 :: 123.998 Ave N Shift Values>> N :: 121.98(4.07) 1.D23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.26 L 0.22 K 0.16 F 0.11 Y 0.09 N 0.07 R 0.04 HN Overlap>> 1.V117 1.V117 C Shift Assignments>> CA :: 54.981 CB :: 41.190 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 :: 8.291 HA :: 4.494 HB2 :: 2.671 HB3 :: 2.599 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 :: 120.385 Ave N Shift Values>> N :: 120.73(4.2) 1.T24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 64.590 CB :: 69.620 CG2 :: 21.036 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 :: 8.010 HA :: 3.770 HB :: 3.690 HG21 :: 0.465 HG22 :: 0.465 HG23 :: 0.465 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 :: 117.799 Ave N Shift Values>> N :: 115.7(5.05) 1.W25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.94 H 0.05 C Shift Assignments>> CA :: 57.837 CB :: 28.842 CD1 :: 127.360 CE3 :: 120.380 CZ2 :: 114.190 CZ3 :: 120.789 CH2 :: 123.832 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 :: 7.780 HA :: 4.012 HB2 :: 3.371 HB3 :: 2.873 HD1 :: 7.304 HE1 :: 9.986 HE3 :: 7.170 HZ2 :: 7.490 HZ3 :: 6.706 HH2 :: 7.272 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 :: 118.659 NE1 :: 127.944 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.A26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.81 M 0.18 C Shift Assignments>> CA :: 52.102 CB :: 18.840 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.101 HA :: 3.949 HB1 :: 1.310 HB2 :: 1.310 HB3 :: 1.310 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 117.054 Ave N Shift Values>> N :: 123.23(3.7) 1.I27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.98 M 0.01 C Shift Assignments>> CA :: 61.430 CB :: 38.550 CG1 :: 30.205 CG2 :: 18.796 CD1 :: 14.225 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 :: 8.687 HA :: 4.332 HB :: 1.813 HG12 :: 1.945 HG13 :: 0.825 HG21 :: 1.116 HG22 :: 1.116 HG23 :: 1.116 HD11 :: 1.116 HD12 :: 1.116 HD13 :: 1.116 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 :: 125.107 Ave N Shift Values>> N :: 121.6(4.72) 1.T28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 60.685 CB :: 71.252 CG2 :: 21.440 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 :: 8.981 HA :: 4.760 HB :: 4.768 HG21 :: 1.218 HG22 :: 1.218 HG23 :: 1.218 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 118.938 Ave N Shift Values>> N :: 115.7(5.05) 1.V29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 66.349 CB :: 31.799 CG1 :: 20.665 CG2 :: 20.677 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 :: 8.612 HA :: 3.532 HB :: 2.018 HG11 :: 0.947 HG12 :: 0.947 HG13 :: 0.947 HG21 :: 0.927 HG22 :: 0.927 HG23 :: 0.927 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 :: 119.411 Ave N Shift Values>> N :: 121.02(4.96) 1.E30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.45 E 0.43 K 0.07 Q 0.01 M 0.01 C Shift Assignments>> CA :: 59.597 CB :: 28.912 CG :: 36.777 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 :: 8.432 HA :: 4.011 HB2 :: 2.009 HB3 :: 1.886 HG2 :: 2.305 HG3 :: 2.270 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 :: 119.890 Ave N Shift Values>> N :: 120.68(3.68) 1.E31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.57 I 0.32 M 0.07 K 0.02 C Shift Assignments>> CA :: 58.718 CB :: 30.666 CG :: 37.524 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 :: 7.737 HA :: 3.604 HB2 :: 1.469 HB3 :: 1.466 HG2 :: 2.071 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 :: 120.821 Ave N Shift Values>> N :: 120.68(3.68) 1.R32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.17 Q 0.16 W 0.14 H 0.14 E 0.14 R 0.1 I 0.04 L 0.03 M 0.03 HN Overlap>> 1.R82 1.R82 C Shift Assignments>> CA :: 57.356 CB :: 28.870 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 :: 8.382 HA :: 3.998 HB2 :: 1.889 HB3 :: 1.764 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 :: 117.523 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.A33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.59 A 0.35 I 0.04 HN Overlap>> 1.L68 1.L68 C Shift Assignments>> CA :: 55.007 CB :: 17.601 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.919 HA :: 4.248 HB1 :: 1.458 HB2 :: 1.458 HB3 :: 1.458 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.982 Ave N Shift Values>> N :: 123.23(3.7) 1.K34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.56 R 0.38 M 0.03 G 0.01 C Shift Assignments>> CA :: 58.852 CB :: 31.598 CG :: 24.545 CD :: 28.780 CE :: 42.087 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 :: 7.212 HA :: 4.194 HB2 :: 1.980 HB3 :: 1.922 HG2 :: 1.578 HG3 :: 1.516 HD2 :: 1.752 HD3 :: 1.743 HE2 :: 3.007 HE3 :: 3.004 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 :: 119.567 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.H35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.17 E 0.16 R 0.14 H 0.14 Q 0.13 K 0.1 M 0.05 I 0.04 V 0.01 HN Overlap>> 1.L99 1.L99 1.K98 1.K98 C Shift Assignments>> CA :: 57.821 CB :: 29.950 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 :: 8.814 HA :: 4.923 HB2 :: 3.583 HB3 :: 3.490 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 :: 122.252 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.D36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.3 Y 0.29 D 0.11 L 0.1 I 0.08 K 0.04 N 0.03 E 0.01 C Shift Assignments>> CA :: 57.305 CB :: 39.889 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 :: 9.292 HA :: 4.454 HB2 :: 2.890 HB3 :: 2.650 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 :: 118.831 Ave N Shift Values>> N :: 120.73(4.2) 1.Q37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.33 Q 0.32 E 0.13 R 0.11 I 0.04 M 0.03 P 0.01 C Shift Assignments>> CA :: 59.019 CB :: 28.315 CG :: 33.720 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 :: 7.673 HA :: 4.241 HB2 :: 2.371 HB3 :: 2.360 HG2 :: 2.662 HG3 :: 2.474 HE21 :: 7.170 HE22 :: 7.070 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 :: 120.072 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.Q38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.33 K 0.26 Q 0.23 I 0.12 R 0.03 M 0.02 HN Overlap>> 1.A54 1.A54 C Shift Assignments>> CA :: 58.734 CB :: 28.549 CG :: 35.038 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 :: 8.329 HA :: 4.040 HB2 :: 2.872 HB3 :: 2.145 HG2 :: 2.643 HG3 :: 2.578 HE21 :: 7.276 HE22 :: 6.896 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 :: 120.847 NE2 :: 109.968 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.F39 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.54 Y 0.45 C Shift Assignments>> CA :: 61.602 CB :: 38.799 CD1 :: 130.876 CE1 :: 131.308 CZ :: 129.110 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 9.453 HA :: 2.811 HB2 :: 2.983 HB3 :: 2.937 HD1 :: 6.263 HE1 :: 6.793 HZ :: 7.130 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 :: 123.507 Ave N Shift Values>> N :: 120.69(4.18) SRO Rule Breaks>> (HA > HB2 : 0.9952) (HA > HB3 : 0.9955) 1.H40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.62 H 0.37 C Shift Assignments>> CA :: 59.910 CB :: 29.558 CD2 :: 120.385 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 :: 8.096 HA :: 3.884 HB2 :: 3.215 HB3 :: 3.207 HD2 :: 7.136 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 :: 114.319 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.S41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 60.851 CB :: 62.612 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.818 HA :: 4.300 HB2 :: 4.038 HB3 :: 4.011 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 :: 116.677 Ave N Shift Values>> N :: 116.3(3.95) 1.L42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.66 A 0.31 R 0.01 C Shift Assignments>> CA :: 54.685 CB :: 40.874 CG :: 25.843 CD1 :: 21.931 CD2 :: 25.850 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 :: 7.079 HA :: 4.071 HB2 :: 1.419 HB3 :: 1.114 HG :: 1.311 HD11 :: 0.561 HD12 :: 0.561 HD13 :: 0.561 HD21 :: 0.155 HD22 :: 0.155 HD23 :: 0.155 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 :: 121.868 Ave N Shift Values>> N :: 121.98(4.07) 1.K43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.5 K 0.33 L 0.13 G 0.01 M 0.01 C Shift Assignments>> CA :: 56.035 CB :: 28.886 CG :: 24.100 CD :: 28.546 CE :: 42.039 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 :: 7.345 HA :: 3.877 HB2 :: 1.671 HB3 :: 1.614 HG2 :: 1.278 HG3 :: 1.258 HD2 :: 1.610 HD3 :: 1.665 HE2 :: 2.977 HE3 :: 2.981 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 :: 110.393 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.P44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> CA :: 62.424 CB :: 32.413 CG :: 26.724 CD :: 50.357 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 :: 4.239 HB2 :: 1.432 HB3 :: 1.219 HG2 :: 1.669 HG3 :: 1.659 HD2 :: 3.415 HD3 :: 3.223 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.I45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> CA :: 60.170 CB :: 39.143 CG1 :: 26.725 CG2 :: 17.097 CD1 :: 12.279 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 :: 8.586 HA :: 4.337 HB :: 1.895 HG12 :: 1.647 HG13 :: 1.184 HG21 :: 0.971 HG22 :: 0.971 HG23 :: 0.971 HD11 :: 0.905 HD12 :: 0.905 HD13 :: 0.905 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 :: 120.985 Ave N Shift Values>> N :: 121.6(4.72) 1.S46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 58.483 CB :: 62.174 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.512 HA :: 4.055 HB2 :: 4.340 HB3 :: 4.052 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 :: 124.158 Ave N Shift Values>> N :: 116.3(3.95) 1.G47 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Anomalous PRTL>> G 0.42 L 0.25 R 0.23 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> CA :: 44.328 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.555 HA2 :: 4.020 HA3 :: 3.531 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 162.194(A) Ave N Shift Values>> N :: 109.91(4.29) 1.F48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.35 Y 0.34 G 0.3 C Shift Assignments>> CA :: 56.732 CB :: 43.784 CD1 :: 132.339 CE1 :: 131.284 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 :: 7.710 HA :: 5.783 HB2 :: 2.955 HB3 :: 2.820 HD1 :: 7.057 HE1 :: 7.414 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 :: 115.641 Ave N Shift Values>> N :: 120.69(4.18) 1.I49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.98 C Shift Assignments>> CA :: 59.368 CB :: 39.945 CG1 :: 24.633 CG2 :: 16.212 CD1 :: 16.207 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 :: 9.141 HA :: 4.908 HB :: 1.821 HG12 :: 1.481 HG13 :: 1.222 HG21 :: 0.067 HG22 :: 0.067 HG23 :: 0.067 HD11 :: 0.064 HD12 :: 0.064 HD13 :: 0.064 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 :: 114.692 Ave N Shift Values>> N :: 121.6(4.72) 1.T50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 60.914 CB :: 70.829 CG2 :: 21.440 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 :: 8.700 HA :: 4.473 HB :: 4.772 HG21 :: 1.374 HG22 :: 1.374 HG23 :: 1.374 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 :: 112.658 Ave N Shift Values>> N :: 115.7(5.05) 1.G51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.45 G 0.27 A 0.14 N 0.06 D 0.02 L 0.01 C Shift Assignments>> CA :: 48.310 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.778 HA2 :: 3.790 HA3 :: 3.713 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.204 Ave N Shift Values>> N :: 109.91(4.29) 1.D52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.28 Y 0.26 L 0.12 D 0.12 K 0.09 I 0.06 N 0.02 R 0.01 C Shift Assignments>> CA :: 57.344 CB :: 40.304 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 :: 8.225 HA :: 4.216 HB2 :: 2.522 HB3 :: 2.458 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 :: 119.404 Ave N Shift Values>> N :: 120.73(4.2) 1.Q53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.31 Q 0.27 K 0.23 M 0.1 I 0.05 R 0.02 HN Overlap>> 1.M112 1.M112 C Shift Assignments>> CA :: 58.673 CB :: 29.794 CG :: 34.599 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 :: 7.810 HA :: 3.969 HB2 :: 2.387 HB3 :: 1.744 HG2 :: 2.508 HG3 :: 2.368 HE21 :: 7.318 HE22 :: 6.665 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 :: 118.935 NE2 :: 112.104 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.A54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.52 A 0.4 V 0.02 L 0.02 I 0.02 HN Overlap>> 1.Q38 1.I119 1.Q38 1.I119 C Shift Assignments>> CA :: 55.243 CB :: 19.448 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.293 HA :: 3.642 HB1 :: 1.670 HB2 :: 1.670 HB3 :: 1.670 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.858 Ave N Shift Values>> N :: 123.23(3.7) 1.R55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.59 G 0.25 K 0.15 C Shift Assignments>> CA :: 60.628 CB :: 30.224 CG :: 29.342 CD :: 43.399 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 :: 8.744 HA :: 3.795 HB2 :: 1.786 HB3 :: 1.620 HG2 :: 1.525 HG3 :: 1.437 HD2 :: 2.782 HD3 :: 2.773 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 :: 115.211 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.N56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.28 F 0.2 N 0.15 E 0.13 D 0.09 I 0.05 M 0.02 L 0.02 C Shift Assignments>> CA :: 56.091 CB :: 38.069 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 :: 8.056 HA :: 4.470 HB2 :: 2.900 HB3 :: 2.769 HD21 :: 7.611 HD22 :: 6.853 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 :: 116.543 ND2 :: 112.778 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.F57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.6 F 0.39 C Shift Assignments>> CA :: 61.373 CB :: 39.518 CD1 :: 132.160 CE1 :: 132.111 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 :: 7.567 HA :: 4.517 HB2 :: 3.252 HB3 :: 3.109 HD1 :: 7.402 HE1 :: 7.630 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 121.111 Ave N Shift Values>> N :: 120.69(4.18) 1.F58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.55 F 0.43 C Shift Assignments>> CA :: 57.190 CB :: 37.236 CD1 :: 130.429 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 :: 8.995 HA :: 4.501 HB2 :: 3.382 HB3 :: 3.288 HD1 :: 7.240 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 :: 119.594 Ave N Shift Values>> N :: 120.69(4.18) 1.F59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.5 F 0.49 C Shift Assignments>> CA :: 60.456 CB :: 38.914 CD1 :: 131.735 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 :: 8.510 HA :: 4.296 HB2 :: 3.403 HB3 :: 3.269 HD1 :: 7.274 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 :: 120.834 Ave N Shift Values>> N :: 120.69(4.18) 1.Q60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.35 K 0.33 R 0.14 E 0.1 M 0.03 I 0.01 C Shift Assignments>> CA :: 57.133 CB :: 27.771 CG :: 33.720 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 :: 7.652 HA :: 4.056 HB2 :: 2.239 HB3 :: 2.015 HG2 :: 2.666 HG3 :: 2.560 HE21 :: 7.480 HE22 :: 6.893 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 :: 116.464 NE2 :: 111.531 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.S61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.92 T 0.07 C Shift Assignments>> CA :: 60.571 CB :: 65.277 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.823 HA :: 3.985 HB2 :: 3.973 HB3 :: 3.741 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 :: 113.448 Ave N Shift Values>> N :: 116.3(3.95) 1.G62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.09 R 0.03 C Shift Assignments>> CA :: 45.445 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.478 HA2 :: 4.115 HA3 :: 3.699 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.189 Ave N Shift Values>> N :: 109.91(4.29) 1.L63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.86 R 0.07 A 0.04 C Shift Assignments>> CA :: 52.971 CB :: 41.597 CG :: 27.151 CD1 :: 26.296 CD2 :: 23.644 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 :: 7.282 HA :: 4.471 HB2 :: 1.517 HB3 :: 1.095 HG :: 1.517 HD11 :: 0.874 HD12 :: 0.874 HD13 :: 0.874 HD21 :: 0.902 HD22 :: 0.902 HD23 :: 0.902 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 :: 120.356 Ave N Shift Values>> N :: 121.98(4.07) 1.P64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> CA :: 63.039 CB :: 33.402 CG :: 27.922 CD :: 50.356 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 :: 4.559 HB2 :: 2.583 HB3 :: 1.905 HG2 :: 2.167 HG3 :: 2.137 HD2 :: 3.985 HD3 :: 3.327 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.Q65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.33 K 0.27 R 0.12 V 0.08 I 0.08 Q 0.07 M 0.01 E 0.01 C Shift Assignments>> CA :: 61.180 CB :: 25.845 CG :: 33.290 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 :: 9.289 HA :: 4.194 HB2 :: 2.292 HB3 :: 2.287 HG2 :: 2.581 HG3 :: 2.300 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 :: 122.729 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.P66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> CA :: 65.956 CB :: 30.665 CG :: 28.474 CD :: 50.343 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 :: 4.399 HB2 :: 2.403 HB3 :: 1.912 HG2 :: 2.120 HG3 :: 2.051 HD2 :: 3.883 HD3 :: 3.686 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.V67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 64.811 CB :: 31.581 CG1 :: 22.350 CG2 :: 22.364 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 :: 6.875 HA :: 3.930 HB :: 2.233 HG11 :: 1.132 HG12 :: 1.132 HG13 :: 1.132 HG21 :: 1.007 HG22 :: 1.007 HG23 :: 1.007 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 :: 117.350 Ave N Shift Values>> N :: 121.02(4.96) 1.L68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.94 R 0.03 HN Overlap>> 1.A33 1.A33 C Shift Assignments>> CA :: 57.878 CB :: 40.821 CG :: 26.287 CD1 :: 26.301 CD2 :: 23.055 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 :: 7.965 HA :: 3.955 HB2 :: 1.999 HB3 :: 1.552 HG :: 1.539 HD11 :: 0.875 HD12 :: 0.875 HD13 :: 0.875 HD21 :: 0.760 HD22 :: 0.760 HD23 :: 0.760 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 :: 119.980 Ave N Shift Values>> N :: 121.98(4.07) 1.A69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.61 A 0.33 I 0.04 C Shift Assignments>> CA :: 55.128 CB :: 17.533 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.577 HA :: 4.375 HB1 :: 1.559 HB2 :: 1.559 HB3 :: 1.559 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.731 Ave N Shift Values>> N :: 123.23(3.7) 1.Q70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.34 Q 0.33 E 0.12 R 0.12 M 0.03 I 0.03 C Shift Assignments>> CA :: 58.623 CB :: 28.349 CG :: 33.627 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 :: 7.534 HA :: 4.190 HB2 :: 2.310 HB3 :: 2.188 HG2 :: 2.579 HG3 :: 2.299 HE21 :: 7.297 HE22 :: 6.695 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 :: 120.846 NE2 :: 110.223 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.I71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.K93 1.K93 C Shift Assignments>> CA :: 66.530 CB :: 37.768 CG1 :: 31.098 CG2 :: 15.779 CD1 :: 14.026 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 :: 8.170 HA :: 3.455 HB :: 1.845 HG12 :: 0.779 HG13 :: 0.778 HG21 :: 0.621 HG22 :: 0.621 HG23 :: 0.621 HD11 :: 0.601 HD12 :: 0.601 HD13 :: 0.601 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 :: 120.351 Ave N Shift Values>> N :: 121.6(4.72) 1.W72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.98 H 0.01 HN Overlap>> 1.E87 1.E87 C Shift Assignments>> CA :: 61.144 CB :: 28.496 CD1 :: 128.239 CE3 :: 121.195 CZ2 :: 114.190 CZ3 :: 121.570 CH2 :: 122.996 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 :: 8.473 HA :: 3.845 HB2 :: 3.568 HB3 :: 3.419 HD1 :: 7.302 HE1 :: 10.360 HE3 :: 7.252 HZ2 :: 7.204 HZ3 :: 7.350 HH2 :: 6.739 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 :: 119.417 NE1 :: 130.312 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.A73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.53 M 0.44 I 0.01 C Shift Assignments>> CA :: 54.154 CB :: 18.059 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.647 HA :: 4.012 HB1 :: 1.537 HB2 :: 1.537 HB3 :: 1.537 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 116.148 Ave N Shift Values>> N :: 123.23(3.7) 1.L74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 G 0.19 R 0.17 A 0.03 C Shift Assignments>> CA :: 56.478 CB :: 43.726 CG :: 26.725 CD1 :: 26.292 CD2 :: 22.354 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.493 HA :: 3.947 HB2 :: 1.846 HB3 :: 1.044 HG :: 1.786 HD11 :: 0.886 HD12 :: 0.886 HD13 :: 0.886 HD21 :: 0.591 HD22 :: 0.591 HD23 :: 0.591 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 :: 115.647 Ave N Shift Values>> N :: 121.98(4.07) 1.A75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.59 M 0.35 L 0.03 V 0.01 C Shift Assignments>> CA :: 53.982 CB :: 19.913 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.952 HA :: 4.019 HB1 :: 1.179 HB2 :: 1.179 HB3 :: 1.179 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 118.000 Ave N Shift Values>> N :: 123.23(3.7) 1.D76 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> N 0.6 M 0.12 E 0.08 Y 0.05 K 0.03 D 0.02 F 0.02 Q 0.01 P 0.01 C Shift Assignments>> CA :: 51.849 CB :: 36.265 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 :: 7.798 HA :: 4.587 HB2 :: 2.321 HB3 :: 1.018(S) 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 :: 114.297 Ave N Shift Values>> N :: 120.73(4.2) 1.M77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.83 I 0.15 A 0.01 C Shift Assignments>> CA :: 59.024 CB :: 34.550 CG :: 31.361 CE :: 17.079 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 :: 8.077 HA :: 3.867 HB2 :: 2.220 HB3 :: 1.999 HG2 :: 2.751 HG3 :: 2.550 HE1 :: 2.116 HE2 :: 2.116 HE3 :: 2.116 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 :: 123.959 Ave N Shift Values>> N :: 120.1(3.88) 1.N78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.78 D 0.05 Y 0.04 M 0.03 F 0.02 E 0.02 C Shift Assignments>> CA :: 50.889 CB :: 37.028 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 :: 7.801 HA :: 4.839 HB2 :: 3.316 HB3 :: 2.779 HD21 :: 8.053 HD22 :: 6.559 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 :: 112.247 ND2 :: 112.782 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.N79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.42 Y 0.16 D 0.12 F 0.11 E 0.09 M 0.03 L 0.02 I 0.01 C Shift Assignments>> CA :: 54.319 CB :: 37.867 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 :: 8.019 HA :: 4.380 HB2 :: 3.094 HB3 :: 2.580 HD21 :: 7.507 HD22 :: 6.724 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 :: 116.050 ND2 :: 111.364 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.D80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.36 L 0.22 N 0.14 K 0.1 F 0.05 R 0.04 Y 0.04 HN Overlap>> 1.V111 1.Q85 1.V111 1.Q85 C Shift Assignments>> CA :: 52.672 CB :: 41.585 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 :: 8.019 HA :: 4.784 HB2 :: 3.070 HB3 :: 2.382 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 115.620 Ave N Shift Values>> N :: 120.73(4.2) 1.G81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.05 C Shift Assignments>> CA :: 46.560 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 10.345 HA2 :: 4.339 HA3 :: 4.044 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.191 Ave N Shift Values>> N :: 109.91(4.29) 1.R82 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.41 K 0.29 G 0.29 HN Overlap>> 1.R32 1.R32 C Shift Assignments>> CA :: 53.982 CB :: 33.303 CG :: 25.844 CD :: 43.606 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 :: 8.365 HA :: 5.105 HB2 :: 2.071 HB3 :: 1.895 HG2 :: 1.345 HG3 :: 1.265 HD2 :: 2.655 HD3 :: 2.301(S) 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 :: 117.518 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.M83 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.84 M 0.13 I 0.01 C Shift Assignments>> CA :: 55.586 CB :: 38.610 CG :: 33.778 CE :: 19.708 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 9.038 HA :: 6.142(S) HB2 :: 2.537 HB3 :: 1.961 HG2 :: 2.739 HG3 :: 2.629 HE1 :: 1.516 HE2 :: 1.516 HE3 :: 1.516 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 :: 120.510 Ave N Shift Values>> N :: 120.1(3.88) 1.D84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.37 L 0.23 N 0.15 K 0.07 R 0.06 G 0.03 F 0.03 Y 0.02 C Shift Assignments>> CA :: 51.182 CB :: 42.047 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 :: 7.586 HA :: 5.259 HB2 :: 3.049 HB3 :: 2.564 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 :: 122.321 Ave N Shift Values>> N :: 120.73(4.2) 1.Q85 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> E 0.3 Q 0.27 K 0.26 I 0.07 M 0.06 R 0.02 HN Overlap>> 1.D80 1.D80 C Shift Assignments>> CA :: 58.909 CB :: 29.346 CG :: 34.601 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 :: 7.988 HA :: 2.609(S) HB2 :: 1.581 HB3 :: 1.482 HG2 :: 1.655 HG3 :: 1.530 HE21 :: 7.060 HE22 :: 6.891 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 :: 115.617 NE2 :: 110.121 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.V86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 66.117 CB :: 31.538 CG1 :: 20.597 CG2 :: 20.596 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 :: 7.357 HA :: 3.557 HB :: 2.204 HG11 :: 0.975 HG12 :: 0.975 HG13 :: 0.975 HG21 :: 0.983 HG22 :: 0.983 HG23 :: 0.983 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 :: 120.551 Ave N Shift Values>> N :: 121.02(4.96) 1.E87 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> E 0.56 I 0.29 M 0.11 K 0.01 HN Overlap>> 1.W72 1.W72 C Shift Assignments>> CA :: 59.424 CB :: 31.466 CG :: 37.237 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 :: 8.375 HA :: 3.908 HB2 :: 2.203 HB3 :: 2.195 HG2 :: 3.077(S) HG3 :: 2.584 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 :: 119.417 Ave N Shift Values>> N :: 120.68(3.68) 1.F88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.53 Y 0.45 C Shift Assignments>> CA :: 62.061 CB :: 40.726 CD1 :: 132.161 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 :: 8.482 HA :: 4.427 HB2 :: 3.169 HB3 :: 2.909 HD1 :: 7.468 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 117.094 Ave N Shift Values>> N :: 120.69(4.18) 1.S89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 59.783 CB :: 59.544 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.490 HA :: 4.763 HB2 :: 3.864 HB3 :: 3.851 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 :: 113.424 Ave N Shift Values>> N :: 116.3(3.95) 1.I90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> CA :: 66.098 CB :: 37.905 CG1 :: 30.214 CG2 :: 17.360 CD1 :: 14.906 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 :: 8.034 HA :: 3.506 HB :: 2.063 HG12 :: 1.995 HG13 :: 0.966 HG21 :: 0.848 HG22 :: 0.848 HG23 :: 0.848 HD11 :: 0.878 HD12 :: 0.878 HD13 :: 0.878 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 118.472 Ave N Shift Values>> N :: 121.6(4.72) 1.A91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.78 M 0.2 HN Overlap>> 1.F18 1.F18 C Shift Assignments>> CA :: 52.435 CB :: 19.091 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.197 HA :: 4.286 HB1 :: 1.362 HB2 :: 1.362 HB3 :: 1.362 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.275 Ave N Shift Values>> N :: 123.23(3.7) 1.M92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.37 M 0.21 Q 0.2 R 0.18 E 0.02 C Shift Assignments>> CA :: 55.643 CB :: 29.521 CG :: 32.070 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 :: 8.183 HA :: 4.268 HB2 :: 1.912 HB3 :: 1.887 HG2 :: 2.440 HG3 :: 2.410 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 :: 118.681 Ave N Shift Values>> N :: 120.1(3.88) 1.K93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.22 M 0.21 Q 0.15 R 0.1 W 0.09 H 0.08 E 0.06 V 0.03 HN Overlap>> 1.I71 1.I71 C Shift Assignments>> CA :: 56.840 CB :: 32.830 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 :: 8.172 HA :: 4.006 HB2 :: 1.790 HB3 :: 1.780 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 :: 120.362 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.92 G 0.03 V 0.02 A 0.01 R 0.01 C Shift Assignments>> CA :: 58.234 CB :: 42.050 CG :: 26.770 CD1 :: 22.569 CD2 :: 22.564 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 :: 8.017 HA :: 3.884 HB2 :: 2.128 HB3 :: 1.066 HG :: 0.871 HD11 :: 0.842 HD12 :: 0.842 HD13 :: 0.842 HD21 :: 0.844 HD22 :: 0.844 HD23 :: 0.844 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 :: 114.192 Ave N Shift Values>> N :: 121.98(4.07) 1.I95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> CA :: 66.013 CB :: 38.284 CG1 :: 31.095 CG2 :: 16.651 CD1 :: 13.588 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 :: 8.377 HA :: 3.254 HB :: 1.840 HG12 :: 0.555 HG13 :: 0.553 HG21 :: 0.861 HG22 :: 0.861 HG23 :: 0.861 HD11 :: 0.460 HD12 :: 0.460 HD13 :: 0.460 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 118.949 Ave N Shift Values>> N :: 121.6(4.72) 1.K96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.64 R 0.31 M 0.02 G 0.01 C Shift Assignments>> CA :: 59.701 CB :: 32.286 CG :: 24.539 CD :: 28.780 CE :: 42.045 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 :: 7.751 HA :: 3.928 HB2 :: 2.085 HB3 :: 2.056 HG2 :: 1.494 HG3 :: 1.245 HD2 :: 1.652 HD3 :: 1.641 HE2 :: 2.968 HE3 :: 2.946 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 :: 119.637 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.85 A 0.09 R 0.04 C Shift Assignments>> CA :: 57.363 CB :: 40.459 CG :: 26.295 CD1 :: 21.910 CD2 :: 26.285 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 :: 8.382 HA :: 4.006 HB2 :: 1.613 HB3 :: 0.783 HG :: 1.432 HD11 :: 0.023 HD12 :: 0.023 HD13 :: 0.023 HD21 :: -0.016 HD22 :: -0.016 HD23 :: -0.016 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 :: 117.727 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>> R 0.76 K 0.15 G 0.04 L 0.01 V 0.01 HN Overlap>> 1.L99 1.H35 1.L99 1.H35 C Shift Assignments>> CA :: 57.477 CB :: 31.294 CG :: 24.922 CD :: 24.971 CE :: 42.376 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 :: 8.761 HA :: 4.548 HB2 :: 2.129 HB3 :: 1.828 HG2 :: 1.305 HG3 :: 1.292 HD2 :: 1.540 HD3 :: 1.528 HE2 :: 3.076 HE3 :: 3.024 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 :: 122.255 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.93 V 0.02 A 0.01 G 0.01 R 0.01 HN Overlap>> 1.H35 1.K98 1.H35 1.K98 C Shift Assignments>> CA :: 57.878 CB :: 41.605 CG :: 27.161 CD1 :: 22.695 CD2 :: 22.648 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 :: 8.798 HA :: 4.100 HB2 :: 2.162 HB3 :: 1.461 HG :: 1.792 HD11 :: 0.906 HD12 :: 0.906 HD13 :: 0.906 HD21 :: 0.903 HD22 :: 0.903 HD23 :: 0.903 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 :: 122.214 Ave N Shift Values>> N :: 121.98(4.07) 1.Q100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.31 E 0.26 K 0.26 M 0.11 R 0.02 I 0.01 C Shift Assignments>> CA :: 56.503 CB :: 29.576 CG :: 34.557 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 :: 7.749 HA :: 4.285 HB2 :: 2.388 HB3 :: 2.373 HG2 :: 2.689 HG3 :: 2.374 HE21 :: 7.619 HE22 :: 7.576 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 :: 116.914 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.G101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.69 L 0.16 R 0.09 F 0.01 D 0.01 C Shift Assignments>> CA :: 44.884 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.910 HA2 :: 4.262 HA3 :: 3.661 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.044 Ave N Shift Values>> N :: 109.91(4.29) 1.Y102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> CA :: 59.253 CB :: 37.849 CD1 :: 133.054 CE1 :: 117.810 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 :: 8.078 HA :: 4.311 HB2 :: 2.960 HB3 :: 2.441 HD1 :: 7.297 HD2 :: 7.297 HE1 :: 6.697 HE2 :: 6.697 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 :: 120.876 Ave N Shift Values>> N :: 120.79(4.69) 1.Q103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.17 K 0.16 H 0.15 W 0.14 E 0.14 R 0.11 M 0.03 I 0.02 L 0.02 C Shift Assignments>> CA :: 56.620 CB :: 29.100 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 :: 8.610 HA :: 4.280 HB2 :: 2.050 HB3 :: 2.035 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 119.785 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.L104 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> CA :: 61.602 CB :: 31.690 CG :: 27.140 CD :: 50.280 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 :: 4.631 HB2 :: 2.176 HB3 :: 1.924 HG2 :: 1.929 HG3 :: 1.920 HD2 :: 3.640 HD3 :: 3.630 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.S106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 59.525 CB :: 63.078 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.485 HA :: 4.183 HB2 :: 3.882 HB3 :: 3.850 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 :: 112.361 Ave N Shift Values>> N :: 116.3(3.95) 1.A107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.82 M 0.09 L 0.06 C Shift Assignments>> CA :: 50.086 CB :: 21.253 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.410 HA :: 4.308 HB1 :: 1.204 HB2 :: 1.204 HB3 :: 1.204 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.311 Ave N Shift Values>> N :: 123.23(3.7) 1.L108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.89 R 0.06 G 0.03 C Shift Assignments>> CA :: 52.990 CB :: 42.041 CG :: 25.951 CD1 :: 26.513 CD2 :: 25.593 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 :: 8.915 HA :: 4.020 HB2 :: 1.479 HB3 :: 1.392 HG :: 1.551 HD11 :: 0.924 HD12 :: 0.924 HD13 :: 0.924 HD21 :: 0.862 HD22 :: 0.862 HD23 :: 0.862 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 :: 122.607 Ave N Shift Values>> N :: 121.98(4.07) 1.P109 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> CA :: 65.440 CB :: 31.638 CG :: 27.140 CD :: 50.280 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 :: 4.024 HB2 :: 2.346 HB3 :: 1.925 HG2 :: 2.070 HG3 :: 2.005 HD2 :: 3.879 HD3 :: 3.759 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.V111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.D80 1.D80 C Shift Assignments>> CA :: 63.779 CB :: 31.065 CG1 :: 21.380 CG2 :: 20.145 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 :: 8.118 HA :: 3.986 HB :: 2.204 HG11 :: 1.026 HG12 :: 1.026 HG13 :: 1.026 HG21 :: 0.861 HG22 :: 0.861 HG23 :: 0.861 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 :: 115.605 Ave N Shift Values>> N :: 121.02(4.96) 1.M112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.95 I 0.02 A 0.02 HN Overlap>> 1.Q53 1.Q53 C Shift Assignments>> CA :: 59.098 CB :: 34.024 CG :: 33.577 CE :: 17.971 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 7.908 HA :: 4.160 HB2 :: 2.854 HB3 :: 2.779 HG2 :: 2.256 HG3 :: 1.983 HE1 :: 2.312 HE2 :: 2.312 HE3 :: 2.312 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 :: 118.943 Ave N Shift Values>> N :: 120.1(3.88) 1.K113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.59 R 0.34 M 0.04 G 0.01 C Shift Assignments>> CA :: 55.987 CB :: 32.841 CG :: 25.423 CD :: 29.439 CE :: 42.045 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 :: 7.330 HA :: 4.182 HB2 :: 1.931 HB3 :: 1.748 HG2 :: 1.338 HG3 :: 1.328 HD2 :: 1.691 HD3 :: 1.687 HE2 :: 2.915 HE3 :: 2.911 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 :: 112.617 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Q114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.37 K 0.33 E 0.11 M 0.1 R 0.07 C Shift Assignments>> CA :: 54.956 CB :: 29.241 CG :: 33.720 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 :: 7.114 HA :: 4.309 HB2 :: 2.169 HB3 :: 2.096 HG2 :: 2.437 HG3 :: 2.433 HE21 :: 7.454 HE22 :: 6.891 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 :: 117.852 NE2 :: 111.589 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.Q115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.36 K 0.36 R 0.15 M 0.06 E 0.04 C Shift Assignments>> CA :: 53.858 CB :: 28.234 CG :: 33.293 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 :: 8.556 HA :: 4.501 HB2 :: 2.051 HB3 :: 1.980 HG2 :: 2.459 HG3 :: 2.450 HE21 :: 7.609 HE22 :: 6.857 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 :: 123.195 NE2 :: 112.771 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.P116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> CA :: 63.050 CB :: 31.953 CG :: 27.565 CD :: 50.673 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 :: 4.530 HB2 :: 2.104 HB3 :: 1.706 HG2 :: 1.964 HG3 :: 1.923 HD2 :: 3.848 HD3 :: 3.602 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.V117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.D23 1.D23 C Shift Assignments>> CA :: 61.258 CB :: 33.724 CG1 :: 21.029 CG2 :: 21.029 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 :: 8.345 HA :: 4.167 HB :: 2.030 HG11 :: 0.935 HG12 :: 0.935 HG13 :: 0.935 HG21 :: 0.937 HG22 :: 0.937 HG23 :: 0.937 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 :: 120.361 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 0.84 M 0.14 C Shift Assignments>> CA :: 51.678 CB :: 19.260 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.470 HA :: 4.452 HB1 :: 1.370 HB2 :: 1.370 HB3 :: 1.370 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 128.412 Ave N Shift Values>> N :: 123.23(3.7) 1.I119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.A54 1.A54 C Shift Assignments>> CA :: 60.743 CB :: 38.914 CG1 :: 27.151 CG2 :: 17.533 CD1 :: 12.720 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 :: 8.250 HA :: 4.240 HB :: 1.875 HG12 :: 1.479 HG13 :: 1.207 HG21 :: 0.930 HG22 :: 0.930 HG23 :: 0.930 HD11 :: 0.846 HD12 :: 0.846 HD13 :: 0.846 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 :: 120.929 Ave N Shift Values>> N :: 121.6(4.72) 1.S120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 57.878 CB :: 63.951 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.413 HA :: 4.543 HB2 :: 3.868 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 :: 120.494 Ave N Shift Values>> N :: 116.3(3.95) 1.S121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 58.570 CB :: 63.800 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.046 HA :: 4.510 HB2 :: 3.880 HB3 :: 3.870 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 123.709 Ave N Shift Values>> N :: 116.3(3.95) ########################################################################### Overall Results: #Consistent: 114 #Clerical: 0 #Suspicious: 6 #Anomalous: 1 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 108 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 13 Shift Relative Order (SRO) Results: #Consistent: 120 #Suspicious: 1 C Shift Results: #Consistent: 352 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 736 #Duplicate: 0 #Unknown: 0 #Suspicious: 5 #Anomalous: 0 N Shift Results: #Consistent: 111 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 1 Error Summary: 1.F39 SRO Rule Break>> HA > HB2 : 0.995201919232307 1.F39 SRO Rule Break>> HA > HB3 : 0.99548625359048 1.G47 N = 162.194(A), Expected = 109.91, Std = 4.2900, ChiSquare = 3.6276e-34 1.D76 HB3 = 1.018(S), Expected = 2.70, Std = 0.2900, ChiSquare = 6.6315e-09 1.R82 HD3 = 2.301(S), Expected = 3.13, Std = 0.2200, ChiSquare = 1.6444e-04 1.M83 HA = 6.142(S), Expected = 4.39, Std = 0.4600, ChiSquare = 1.3970e-04 1.Q85 HA = 2.609(S), Expected = 4.28, Std = 0.4400, ChiSquare = 1.4603e-04 1.E87 HG2 = 3.077(S), Expected = 2.31, Std = 0.2100, ChiSquare = 2.5982e-04