Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S6 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G7 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> CA :: 58.166 CB :: 64.582 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> HA :: 5.012 HB2 :: 3.632 HB3 :: 3.632 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) 1.L9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.48 C 0.32 R 0.14 G 0.03 C Shift Assignments>> C :: 176.799 CA :: 57.523 CB :: 42.703 CG :: 27.664 CD1 :: 24.983 CD2 :: 24.354 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 :: 9.253 HA :: 4.091 HB2 :: 1.432 HB3 :: 1.463 HG :: 1.432 HD11 :: 0.842 HD12 :: 0.842 HD13 :: 0.842 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 :: 127.432 Ave N Shift Values>> N :: 121.98(4.07) 1.L10 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.44 L 0.23 C 0.2 A 0.1 R 0.01 C Shift Assignments>> C :: 173.779 CA :: 54.399 CB :: 45.006 CG :: 26.994 CD1 :: 22.059 CD2 :: 24.644 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 :: 6.827 HA :: 4.201 HB2 :: 1.062 HB3 :: 0.723 HG :: 0.169(S) HD11 :: 0.401 HD12 :: 0.401 HD13 :: 0.401 HD21 :: -0.596(S) HD22 :: -0.596(S) HD23 :: -0.596(S) Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 116.105 Ave N Shift Values>> N :: 121.98(4.07) 1.C11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.15 C 0.14 R 0.14 H 0.13 W 0.11 K 0.11 E 0.09 Q 0.08 V 0.01 C Shift Assignments>> C :: 172.654 CA :: 55.546 CB :: 31.333 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.989 HA :: 5.743 HB2 :: 3.222 HB3 :: 2.995 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 :: 117.939 Ave N Shift Values>> N :: 119.95(4.79) 1.G12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.56 L 0.17 R 0.12 C 0.1 D 0.01 Y 0.01 C Shift Assignments>> C :: 168.720 CA :: 44.710 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.479 HA2 :: 4.419 HA3 :: 2.832 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.046 Ave N Shift Values>> N :: 109.91(4.29) 1.P13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.68 C 0.3 C Shift Assignments>> C :: 177.501 CA :: 62.182 CB :: 32.587 CG :: 27.240 CD :: 49.348 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 :: 5.163 HB2 :: 2.445 HB3 :: 2.079 HG2 :: 2.309 HG3 :: 2.246 HD2 :: 3.636 HD3 :: 3.636 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.L14 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.81 A 0.12 L 0.03 G 0.02 HN Overlap>> 1.W84 1.W84 C Shift Assignments>> C :: 175.698 CA :: 53.975 CB :: 48.936(S) CG :: 26.865 CD1 :: 23.341 CD2 :: 25.604 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 :: 8.630 HA :: 4.764 HB2 :: 1.041 HB3 :: 0.962 HG :: 1.025 HD11 :: 0.563 HD12 :: 0.563 HD13 :: 0.563 HD21 :: -0.458(S) HD22 :: -0.458(S) HD23 :: -0.458(S) Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 122.246 Ave N Shift Values>> N :: 121.98(4.07) 1.R15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 R 0.18 G 0.17 K 0.14 C Shift Assignments>> C :: 174.664 CA :: 54.858 CB :: 34.085 CG :: 27.981 CD :: 43.773 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 :: 8.498 HA :: 5.421 HB2 :: 1.892 HB3 :: 1.481 HG2 :: 1.518 HG3 :: 1.591 HD2 :: 2.942 HD3 :: 3.172 HE :: 7.537 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 118.593 NE :: 82.182 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.L16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.77 G 0.16 L 0.04 A 0.01 C Shift Assignments>> C :: 176.872 CA :: 53.746 CB :: 47.803 CG :: 28.310 CD1 :: 24.633 CD2 :: 26.700 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 :: 9.244 HA :: 5.662 HB2 :: 1.717 HB3 :: 1.331 HG :: 1.662 HD11 :: 0.699 HD12 :: 0.699 HD13 :: 0.699 HD21 :: 0.552 HD22 :: 0.552 HD23 :: 0.552 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 :: 123.893 Ave N Shift Values>> N :: 121.98(4.07) 1.S17 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.790 CA :: 57.081 CB :: 64.487 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.982 HA :: 4.484 HB2 :: 2.064(S) HB3 :: 1.654(S) Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 117.455 Ave N Shift Values>> N :: 116.3(3.95) 1.E18 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> E 0.36 C 0.34 I 0.13 K 0.07 M 0.05 Q 0.03 C Shift Assignments>> C :: 176.185 CA :: 58.793 CB :: 30.037 CG :: 36.249 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 :: 9.102 HA :: 3.832 HB2 :: 1.622 HB3 :: 1.442 HG2 :: 1.411(S) HG3 :: 1.633 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 :: 129.354 Ave N Shift Values>> N :: 120.68(3.68) 1.S19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.95 T 0.04 C Shift Assignments>> C :: 175.321 CA :: 57.699 CB :: 65.816 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.792 HA :: 4.650 HB2 :: 3.972 HB3 :: 3.683 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 :: 108.812 Ave N Shift Values>> N :: 116.3(3.95) 1.G20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.58 L 0.17 R 0.11 C 0.1 D 0.01 Y 0.01 C Shift Assignments>> C :: 172.644 CA :: 44.746 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.376 HA2 :: 3.931 HA3 :: 2.690 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.458 Ave N Shift Values>> N :: 109.91(4.29) 1.E21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.36 M 0.12 I 0.07 K 0.03 Q 0.02 C Shift Assignments>> C :: 176.266 CA :: 58.069 CB :: 31.024 CG :: 36.370 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 :: 7.522 HA :: 4.274 HB2 :: 1.952 HB3 :: 1.822 HG2 :: 2.118 HG3 :: 2.118 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 :: 119.071 Ave N Shift Values>> N :: 120.68(3.68) 1.T22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.88 C 0.11 C Shift Assignments>> C :: 173.662 CA :: 60.682 CB :: 70.504 CG2 :: 21.812 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.436 HA :: 4.618 HB :: 4.050 HG21 :: 1.176 HG22 :: 1.176 HG23 :: 1.176 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 :: 111.176 Ave N Shift Values>> N :: 115.7(5.05) 1.W23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 W 0.48 H 0.02 C Shift Assignments>> C :: 175.888 CA :: 56.570 CB :: 32.176 CD1 :: 127.732 CE3 :: 120.834 CZ2 :: 113.944 CZ3 :: 122.163 CH2 :: 123.151 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 :: 9.121 HA :: 4.983 HB2 :: 2.912 HB3 :: 2.912 HD1 :: 7.016 HE1 :: 9.470 HE3 :: 7.039 HZ2 :: 7.062 HZ3 :: 6.518 HH2 :: 6.595 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 :: 127.096 NE1 :: 129.963 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.S24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.97 T 0.02 HN Overlap>> 1.Y85 1.Y85 C Shift Assignments>> C :: 173.268 CA :: 57.346 CB :: 65.445 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.273 HA :: 4.948 HB2 :: 3.899 HB3 :: 3.702 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 118.031 Ave N Shift Values>> N :: 116.3(3.95) 1.E25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.39 C 0.37 I 0.09 M 0.07 K 0.05 Q 0.01 C Shift Assignments>> C :: 176.246 CA :: 57.170 CB :: 30.202 CG :: 36.864 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 :: 8.990 HA :: 4.737 HB2 :: 2.191 HB3 :: 2.032 HG2 :: 2.360 HG3 :: 2.305 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 :: 125.088 Ave N Shift Values>> N :: 120.68(3.68) 1.V26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.73 V 0.21 I 0.03 A 0.01 C Shift Assignments>> C :: 174.304 CA :: 58.917 CB :: 35.753 CG1 :: 22.141 CG2 :: 19.468 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 :: 9.012 HA :: 5.002 HB :: 1.974 HG11 :: 0.693 HG12 :: 0.693 HG13 :: 0.693 HG21 :: 0.551 HG22 :: 0.551 HG23 :: 0.551 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 :: 118.076 Ave N Shift Values>> N :: 121.02(4.96) 1.W27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.52 C 0.44 H 0.03 C Shift Assignments>> C :: 174.255 CA :: 57.117 CB :: 30.325 CD1 :: 126.993 CE3 :: 120.426 CZ2 :: 114.621 CZ3 :: 121.805 CH2 :: 124.333 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 :: 8.880 HA :: 4.814 HB2 :: 3.142 HB3 :: 3.142 HD1 :: 7.045 HE1 :: 10.203 HE3 :: 7.611 HZ2 :: 7.572 HZ3 :: 7.197 HH2 :: 7.302 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 122.873 NE1 :: 128.664 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.A28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 C 0.27 P 0.19 A 0.08 K 0.05 M 0.03 G 0.02 R 0.01 C Shift Assignments>> C :: 175.519 CA :: 49.670 CB :: 23.827 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.482 HA :: 5.329 HB1 :: 0.932 HB2 :: 0.932 HB3 :: 0.932 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 133.586 Ave N Shift Values>> N :: 123.23(3.7) 1.A29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 C 0.16 K 0.14 M 0.07 A 0.05 R 0.02 C Shift Assignments>> C :: 175.956 CA :: 52.210 CB :: 23.697 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.948 HA :: 5.160 HB1 :: 1.431 HB2 :: 1.431 HB3 :: 1.431 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.901 Ave N Shift Values>> N :: 123.23(3.7) 1.I30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.47 C 0.47 A 0.05 C Shift Assignments>> C :: 174.004 CA :: 57.699 CB :: 40.565 CG1 :: 27.389 CG2 :: 17.614 CD1 :: 14.732 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 :: 8.245 HA :: 5.313 HB :: 1.644 HG12 :: 1.740 HG13 :: 1.132 HG21 :: 0.952 HG22 :: 0.952 HG23 :: 0.952 HD11 :: 0.815 HD12 :: 0.815 HD13 :: 0.815 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 :: 122.332 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>> P 0.66 C 0.33 C Shift Assignments>> C :: 177.566 CA :: 62.464 CB :: 31.929 CG :: 26.829 CD :: 51.815 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 :: 4.655 HB2 :: 2.247 HB3 :: 1.853 HG2 :: 1.553 HG3 :: 1.753 HD2 :: 3.839 HD3 :: 4.352 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.M32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 M 0.47 A 0.01 C Shift Assignments>> C :: 177.770 CA :: 58.158 CB :: 31.929 CG :: 32.680 CE :: 16.833 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 :: 8.572 HA :: 3.997 HB2 :: 1.948 HB3 :: 1.761 HG2 :: 2.318 HG3 :: 2.386 HE1 :: 2.013 HE2 :: 2.013 HE3 :: 2.013 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 :: 121.580 Ave N Shift Values>> N :: 120.1(3.88) 1.S33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.424 CA :: 58.864 CB :: 63.225 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.163 HA :: 4.213 HB2 :: 4.042 HB3 :: 3.806 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 :: 109.218 Ave N Shift Values>> N :: 116.3(3.95) 1.D34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.43 L 0.22 C 0.14 K 0.09 Y 0.05 R 0.03 C Shift Assignments>> C :: 171.847 CA :: 52.581 CB :: 41.223 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 :: 7.179 HA :: 4.912 HB2 :: 2.923 HB3 :: 2.365 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 :: 120.601 Ave N Shift Values>> N :: 120.73(4.2) 1.P35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.88 C 0.1 C Shift Assignments>> C :: 175.635 CA :: 64.511 CB :: 31.729 CG :: 27.158 CD :: 49.469 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 :: 4.510 HB2 :: 2.044 HB3 :: 2.044 HG2 :: 1.811 HG3 :: 1.958 HD2 :: 3.471 HD3 :: 3.641 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.Q36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 E 0.24 Q 0.19 K 0.18 M 0.07 R 0.01 I 0.01 C Shift Assignments>> C :: 174.646 CA :: 55.193 CB :: 29.420 CG :: 35.136 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 :: 7.982 HA :: 4.472 HB2 :: 2.012 HB3 :: 2.179 HG2 :: 2.300 HG3 :: 2.213 HE21 :: 7.641 HE22 :: 6.824 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 114.393 NE2 :: 112.416 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.V37 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 :: 172.485 CA :: 60.987 CB :: 35.218 CG1 :: 21.342 CG2 :: 21.874 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 :: 7.878 HA :: 4.546 HB :: 1.872 HG11 :: 0.733 HG12 :: 0.733 HG13 :: 0.733 HG21 :: 0.552 HG22 :: 0.552 HG23 :: 0.552 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 :: 120.432 Ave N Shift Values>> N :: 121.02(4.96) 1.L38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.56 L 0.26 C 0.15 R 0.01 C Shift Assignments>> C :: 175.193 CA :: 53.146 CB :: 45.359 CG :: 27.204 CD1 :: 25.989 CD2 :: 24.643 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 :: 7.992 HA :: 4.770 HB2 :: 1.711 HB3 :: 1.112 HG :: 1.213 HD11 :: 0.581 HD12 :: 0.581 HD13 :: 0.581 HD21 :: 0.925 HD22 :: 0.925 HD23 :: 0.925 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 :: 123.585 Ave N Shift Values>> N :: 121.98(4.07) 1.H39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 H 0.36 W 0.18 C Shift Assignments>> C :: 175.351 CA :: 55.211 CB :: 32.669 CD2 :: 118.109 CE1 :: 138.083 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 9.442 HA :: 5.212 HB2 :: 3.032 HB3 :: 3.281 HD2 :: 7.056 HE1 :: 7.738 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 :: 126.949 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.L40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 G 0.22 C 0.18 R 0.05 A 0.01 C Shift Assignments>> C :: 176.050 CA :: 53.552 CB :: 44.019 CG :: 26.706 CD1 :: 26.068 CD2 :: 24.033 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 :: 8.424 HA :: 5.082 HB2 :: 1.955 HB3 :: 0.858 HG :: 1.234 HD11 :: 0.492 HD12 :: 0.492 HD13 :: 0.492 HD21 :: 0.571 HD22 :: 0.571 HD23 :: 0.571 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 :: 122.395 Ave N Shift Values>> N :: 121.98(4.07) 1.Q41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.38 C 0.3 Q 0.17 E 0.08 K 0.04 C Shift Assignments>> C :: 175.453 CA :: 54.840 CB :: 31.946 CG :: 33.820 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 :: 8.972 HA :: 4.723 HB2 :: 2.221 HB3 :: 2.272 HG2 :: 2.453 HG3 :: 2.453 HE21 :: 7.565 HE22 :: 6.756 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 121.779 NE2 :: 111.663 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.G42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.58 L 0.17 R 0.11 C 0.1 D 0.01 Y 0.01 C Shift Assignments>> C :: 173.938 CA :: 44.746 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.739 HA2 :: 4.252 HA3 :: 4.200 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.892 Ave N Shift Values>> N :: 109.91(4.29) 1.G43 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 0.03 C Shift Assignments>> C :: 174.713 CA :: 45.346 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.709 HA2 :: 4.110 HA3 :: 3.962 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.768 Ave N Shift Values>> N :: 109.91(4.29) 1.S44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.312 CA :: 58.723 CB :: 63.924 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.369 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 :: 115.582 Ave N Shift Values>> N :: 116.3(3.95) 1.Q45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.26 C 0.25 K 0.25 E 0.1 R 0.07 M 0.03 C Shift Assignments>> C :: 175.931 CA :: 56.358 CB :: 28.392 CG :: 33.903 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>> HA :: 4.346 HB2 :: 2.223 HB3 :: 2.022 HG2 :: 2.383 HG3 :: 2.383 HE21 :: 7.552 HE22 :: 6.845 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>> NE2 :: 112.539 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.D46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.35 L 0.23 K 0.14 C 0.13 Y 0.08 R 0.03 HN Overlap>> 1.E67 1.E67 C Shift Assignments>> C :: 176.998 CA :: 54.188 CB :: 41.099 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 :: 8.053 HA :: 4.615 HB2 :: 2.737 HB3 :: 2.737 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 :: 119.460 Ave N Shift Values>> N :: 120.73(4.2) 1.G47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.09 L 0.06 R 0.01 C Shift Assignments>> C :: 174.725 CA :: 45.892 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.311 HA2 :: 3.970 HA3 :: 3.970 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.753 Ave N Shift Values>> N :: 109.91(4.29) 1.R48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.41 C 0.35 K 0.18 G 0.04 C Shift Assignments>> C :: 176.347 CA :: 56.782 CB :: 30.654 CG :: 27.734 CD :: 43.115 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 :: 8.300 HA :: 4.308 HB2 :: 2.012 HB3 :: 1.881 HG2 :: 1.642 HG3 :: 1.642 HD2 :: 3.274 HD3 :: 3.220 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 119.526 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.L49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.74 C 0.2 R 0.02 A 0.01 C Shift Assignments>> C :: 174.707 CA :: 53.040 CB :: 41.759 CG :: 26.724 CD1 :: 25.384 CD2 :: 24.274 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 :: 7.682 HA :: 4.252 HB2 :: 1.452 HB3 :: 1.216 HG :: 1.492 HD11 :: 0.672 HD12 :: 0.672 HD13 :: 0.672 HD21 :: 0.712 HD22 :: 0.712 HD23 :: 0.712 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 :: 121.049 Ave N Shift Values>> N :: 121.98(4.07) 1.P50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.73 C 0.26 C Shift Assignments>> C :: 175.058 CA :: 62.323 CB :: 31.353 CG :: 26.639 CD :: 49.704 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 :: 4.392 HB2 :: 2.143 HB3 :: 1.600 HG2 :: 1.163 HG3 :: 1.361 HD2 :: 2.982 HD3 :: 2.587 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.R51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.4 C 0.36 K 0.17 G 0.05 C Shift Assignments>> C :: 177.443 CA :: 56.728 CB :: 31.194 CG :: 27.405 CD :: 43.197 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 :: 8.295 HA :: 4.511 HB2 :: 1.962 HB3 :: 1.814 HG2 :: 1.810 HG3 :: 1.709 HD2 :: 3.256 HD3 :: 3.256 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 119.201 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.T52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.73 C 0.26 C Shift Assignments>> C :: 173.287 CA :: 59.411 CB :: 71.632 CG2 :: 21.976 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.372 HA :: 4.963 HB :: 3.623 HG21 :: 0.651 HG22 :: 0.651 HG23 :: 0.651 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 :: 109.591 Ave N Shift Values>> N :: 115.7(5.05) 1.I53 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.52 I 0.44 A 0.02 C Shift Assignments>> C :: 173.374 CA :: 57.735 CB :: 41.196 CG1 :: 26.353 CG2 :: 16.124 CD1 :: 13.441 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 :: 8.742 HA :: 3.845 HB :: 1.301 HG12 :: 0.367 HG13 :: 0.950 HG21 :: -0.313(S) HG22 :: -0.313(S) HG23 :: -0.313(S) HD11 :: 0.244 HD12 :: 0.244 HD13 :: 0.244 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 :: 123.236 Ave N Shift Values>> N :: 121.6(4.72) 1.P54 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.57 C 0.42 C Shift Assignments>> CA :: 61.292 CB :: 30.119 CG :: 27.158 CD :: 50.024 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 :: 4.541 HB2 :: 1.942 HB3 :: 1.978 HG2 :: 1.972 HG3 :: 1.912 HD2 :: 3.202 HD3 :: 2.163(S) 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.L55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.63 L 0.35 C Shift Assignments>> CA :: 58.660 CB :: 39.660 CG :: 26.954 CD1 :: 26.238 CD2 :: 22.786 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 :: 8.146 HA :: 4.262 HB2 :: 1.132 HB3 :: 1.793 HG :: 1.662 HD11 :: 0.802 HD12 :: 0.802 HD13 :: 0.802 HD21 :: 0.762 HD22 :: 0.762 HD23 :: 0.762 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 :: 127.224 Ave N Shift Values>> N :: 121.98(4.07) 1.P56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.62 C 0.37 C Shift Assignments>> C :: 177.498 CA :: 65.782 CB :: 31.188 CG :: 28.639 CD :: 51.257 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 :: 4.630 HB2 :: 1.841 HB3 :: 2.455 HG2 :: 2.083 HG3 :: 1.933 HD2 :: 3.412 HD3 :: 4.303 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.S57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.102 CA :: 58.423 CB :: 63.924 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.722 HA :: 4.723 HB2 :: 4.251 HB3 :: 3.992 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 :: 110.169 Ave N Shift Values>> N :: 116.3(3.95) 1.C58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.16 C 0.14 E 0.13 I 0.11 R 0.1 H 0.09 K 0.09 Q 0.08 V 0.03 M 0.02 HN Overlap>> 1.R68 1.R68 C Shift Assignments>> C :: 174.525 CA :: 59.447 CB :: 29.594 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.002 HA :: 5.282 HB2 :: 3.162 HB3 :: 2.572 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 :: 118.902 Ave N Shift Values>> N :: 119.95(4.79) 1.K59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.36 R 0.19 M 0.01 G 0.01 C Shift Assignments>> C :: 175.947 CA :: 55.299 CB :: 34.561 CG :: 25.020 CD :: 29.157 CE :: 42.223 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 :: 9.242 HA :: 4.777 HB2 :: 1.873 HB3 :: 1.810 HG2 :: 1.530 HG3 :: 1.407 HD2 :: 1.699 HD3 :: 1.699 HE2 :: 2.980 HE3 :: 2.980 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 :: 122.306 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.32 G 0.31 C 0.23 R 0.12 C Shift Assignments>> C :: 176.239 CA :: 53.958 CB :: 44.454 CG :: 28.014 CD1 :: 25.995 CD2 :: 25.531 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 :: 9.030 HA :: 5.543 HB2 :: 1.594 HB3 :: 1.594 HG :: 1.692 HD11 :: 0.892 HD12 :: 0.892 HD13 :: 0.892 HD21 :: 0.889 HD22 :: 0.889 HD23 :: 0.889 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 :: 129.520 Ave N Shift Values>> N :: 121.98(4.07) 1.S61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.96 T 0.03 C Shift Assignments>> C :: 172.173 CA :: 57.558 CB :: 65.692 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.077 HA :: 4.832 HB2 :: 3.892 HB3 :: 3.862 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 :: 117.374 Ave N Shift Values>> N :: 116.3(3.95) 1.V62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.53 C 0.46 C Shift Assignments>> C :: 174.367 CA :: 59.782 CB :: 33.518 CG1 :: 21.344 CG2 :: 21.060 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 :: 8.784 HA :: 4.927 HB :: 2.189 HG11 :: 1.215 HG12 :: 1.215 HG13 :: 1.215 HG21 :: 1.022 HG22 :: 1.022 HG23 :: 1.022 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 :: 119.929 Ave N Shift Values>> N :: 121.02(4.96) 1.P63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.69 C 0.3 C Shift Assignments>> CA :: 62.526 CB :: 32.504 CG :: 27.624 CD :: 51.508 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 :: 4.495 HB2 :: 2.424 HB3 :: 1.962 HG2 :: 1.983 HG3 :: 1.983 HD2 :: 3.994 HD3 :: 3.882 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.D64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.41 L 0.22 C 0.14 K 0.11 Y 0.06 R 0.03 C Shift Assignments>> CA :: 53.231 CB :: 41.105 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 :: 8.762 HA :: 4.780 HB2 :: 2.863 HB3 :: 2.643 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 :: 123.527 Ave N Shift Values>> N :: 120.73(4.2) 1.P65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.83 C 0.16 C Shift Assignments>> C :: 178.309 CA :: 64.829 CB :: 32.136 CG :: 27.487 CD :: 51.011 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 :: 4.371 HB2 :: 2.395 HB3 :: 1.981 HG2 :: 2.083 HG3 :: 2.121 HD2 :: 3.840 HD3 :: 3.961 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.E66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.36 I 0.15 K 0.07 M 0.02 Q 0.01 C Shift Assignments>> C :: 177.222 CA :: 57.805 CB :: 29.334 CG :: 36.824 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 :: 8.890 HA :: 4.129 HB2 :: 2.080 HB3 :: 1.982 HG2 :: 2.290 HG3 :: 2.290 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 :: 117.225 Ave N Shift Values>> N :: 120.68(3.68) 1.E67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 E 0.37 I 0.13 K 0.05 M 0.03 HN Overlap>> 1.D46 1.D46 C Shift Assignments>> C :: 176.058 CA :: 57.328 CB :: 29.594 CG :: 37.110 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 :: 7.971 HA :: 4.136 HB2 :: 2.061 HB3 :: 1.973 HG2 :: 2.299 HG3 :: 2.193 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 :: 119.516 Ave N Shift Values>> N :: 120.68(3.68) 1.R68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.4 C 0.31 L 0.11 K 0.09 G 0.07 HN Overlap>> 1.C58 1.C58 C Shift Assignments>> C :: 175.591 CA :: 56.075 CB :: 28.927 CG :: 27.204 CD :: 43.379 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 :: 8.020 HA :: 4.043 HB2 :: 1.762 HB3 :: 1.762 HG2 :: 1.556 HG3 :: 1.462 HD2 :: 3.121 HD3 :: 3.121 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 118.917 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.L69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 C 0.23 R 0.1 G 0.08 A 0.02 C Shift Assignments>> C :: 176.013 CA :: 54.682 CB :: 43.238 CG :: 26.882 CD1 :: 25.804 CD2 :: 23.330 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 :: 8.188 HA :: 4.372 HB2 :: 1.591 HB3 :: 1.312 HG :: 1.441 HD11 :: 0.592 HD12 :: 0.592 HD13 :: 0.592 HD21 :: 0.682 HD22 :: 0.682 HD23 :: 0.682 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 :: 122.935 Ave N Shift Values>> N :: 121.98(4.07) 1.D70 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> D 0.36 L 0.2 C 0.16 Y 0.12 K 0.11 R 0.01 C Shift Assignments>> C :: 175.200 CA :: 54.558 CB :: 40.634 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 :: 8.382 HA :: 4.123 HB2 :: 1.963 HB3 :: 1.544(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 :: 119.400 Ave N Shift Values>> N :: 120.73(4.2) 1.S71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.294 CA :: 58.017 CB :: 63.430 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 :: 4.233 HB2 :: 3.686 HB3 :: 3.548 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 114.807 Ave N Shift Values>> N :: 116.3(3.95) 1.G72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.55 L 0.18 R 0.13 C 0.1 D 0.01 Y 0.01 C Shift Assignments>> C :: 172.912 CA :: 44.675 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.981 HA2 :: 3.702 HA3 :: 3.610 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.675 Ave N Shift Values>> N :: 109.91(4.29) 1.H73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.4 W 0.35 C 0.24 C Shift Assignments>> C :: 174.804 CA :: 54.700 CB :: 28.762 CD2 :: 120.746 CE1 :: 138.100 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 :: 8.462 HA :: 4.859 HB2 :: 3.331 HB3 :: 2.751 HD2 :: 6.641 HE1 :: 7.914 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 :: 122.843 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.V74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 V 0.43 C Shift Assignments>> C :: 176.121 CA :: 61.246 CB :: 35.383 CG1 :: 22.549 CG2 :: 23.204 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 :: 7.682 HA :: 5.402 HB :: 1.948 HG11 :: 0.811 HG12 :: 0.811 HG13 :: 0.811 HG21 :: 1.056 HG22 :: 1.056 HG23 :: 1.056 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120.824 Ave N Shift Values>> N :: 121.02(4.96) 1.W75 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Suspicious PRTL>> C 0.56 W 0.42 H 0.01 C Shift Assignments>> C :: 171.123 CA :: 57.046 CB :: 32.834 CD1 :: 125.614 CE3 :: 123.432 CZ2 :: 113.119 CZ3 :: 121.276 CH2 :: 125.084 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 :: 9.581 HA :: 5.342 HB2 :: 3.612 HB3 :: 3.363 HD1 :: 6.832 HE1 :: 7.170(S) HE3 :: 7.562 HZ2 :: 6.515 HZ3 :: 6.922 HH2 :: 6.644 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 :: 124.656 NE1 :: 120.111(S) Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.K76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 R 0.25 K 0.24 M 0.01 C Shift Assignments>> C :: 174.801 CA :: 54.876 CB :: 36.740 CG :: 25.074 CD :: 29.667 CE :: 41.816 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 :: 9.557 HA :: 5.192 HB2 :: 1.830 HB3 :: 1.262 HG2 :: 0.662 HG3 :: 0.922 HD2 :: 1.247 HD3 :: 1.247 HE2 :: 2.452 HE3 :: 2.331 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 :: 121.724 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.44 C 0.34 L 0.19 C Shift Assignments>> C :: 174.927 CA :: 54.046 CB :: 46.281 CG :: 27.619 CD1 :: 26.500 CD2 :: 25.314 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 :: 8.957 HA :: 5.272 HB2 :: 1.659 HB3 :: 1.659 HG :: 1.726 HD11 :: 0.848 HD12 :: 0.848 HD13 :: 0.848 HD21 :: 0.974 HD22 :: 0.974 HD23 :: 0.974 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 124.578 Ave N Shift Values>> N :: 121.98(4.07) 1.Q78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.43 C 0.37 Q 0.1 E 0.07 C Shift Assignments>> C :: 174.564 CA :: 54.452 CB :: 32.833 CG :: 34.088 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 :: 8.629 HA :: 5.308 HB2 :: 2.134 HB3 :: 1.925 HG2 :: 2.352 HG3 :: 2.231 HE21 :: 7.482 HE22 :: 6.797 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 121.344 NE2 :: 112.152 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.W79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.48 C 0.48 H 0.02 C Shift Assignments>> C :: 173.001 CA :: 56.323 CB :: 32.258 CD1 :: 126.685 CE3 :: 122.729 CZ2 :: 114.276 CZ3 :: 121.375 CH2 :: 124.839 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 :: 8.601 HA :: 5.003 HB2 :: 3.604 HB3 :: 3.054 HD1 :: 7.115 HE1 :: 10.161 HE3 :: 7.385 HZ2 :: 7.322 HZ3 :: 6.927 HH2 :: 6.773 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 :: 128.274 NE1 :: 128.047 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.A80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.51 A 0.44 I 0.02 C 0.02 C Shift Assignments>> C :: 177.360 CA :: 54.222 CB :: 17.329 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.181 HA :: 3.933 HB1 :: 1.352 HB2 :: 1.352 HB3 :: 1.352 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.348 Ave N Shift Values>> N :: 123.23(3.7) 1.K81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.36 C 0.32 R 0.28 M 0.02 C Shift Assignments>> C :: 176.068 CA :: 56.305 CB :: 31.312 CG :: 25.102 CD :: 28.794 CE :: 42.128 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 :: 8.163 HA :: 4.290 HB2 :: 1.993 HB3 :: 1.671 HG2 :: 1.391 HG3 :: 1.302 HD2 :: 1.602 HD3 :: 1.602 HE2 :: 2.932 HE3 :: 2.932 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 120.289 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Q82 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.28 C 0.26 Q 0.23 K 0.12 E 0.07 R 0.01 C Shift Assignments>> C :: 174.996 CA :: 54.805 CB :: 30.942 CG :: 33.409 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 :: 8.423 HA :: 4.255 HB2 :: 0.914(S) HB3 :: 1.261 HG2 :: 1.793 HG3 :: 1.912 HE21 :: 7.238 HE22 :: 6.837 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 :: 119.918 NE2 :: 112.819 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.S83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 171.947 CA :: 57.629 CB :: 64.664 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.683 HA :: 4.991 HB2 :: 3.399 HB3 :: 3.341 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 :: 115.649 Ave N Shift Values>> N :: 116.3(3.95) 1.W84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 W 0.46 HN Overlap>> 1.L14 1.L14 C Shift Assignments>> C :: 174.105 CA :: 56.834 CB :: 33.368 CD1 :: 126.218 CE3 :: 120.191 CZ2 :: 114.707 CZ3 :: 121.439 CH2 :: 124.307 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 :: 8.665 HA :: 4.714 HB2 :: 3.131 HB3 :: 2.663 HD1 :: 6.902 HE1 :: 10.349 HE3 :: 7.296 HZ2 :: 7.398 HZ3 :: 6.932 HH2 :: 7.112 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 122.334 NE1 :: 128.462 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.Y85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.62 C 0.37 HN Overlap>> 1.S24 1.S24 C Shift Assignments>> C :: 175.136 CA :: 56.993 CB :: 41.058 CD1 :: 132.525 CD2 :: 132.525 CE1 :: 117.899 CE2 :: 117.899 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 :: 9.220 HA :: 5.209 HB2 :: 2.860 HB3 :: 2.633 HD1 :: 6.648 HD2 :: 6.648 HE1 :: 6.482 HE2 :: 6.482 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 :: 117.934 Ave N Shift Values>> N :: 120.79(4.69) 1.L86 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.32 C 0.28 G 0.21 L 0.14 K 0.02 C Shift Assignments>> C :: 174.454 CA :: 53.587 CB :: 43.773 CG :: 27.634 CD1 :: 28.474 CD2 :: 25.571 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 :: 8.662 HA :: 5.172 HB2 :: 0.173(S) HB3 :: -0.557(S) HG :: 1.722 HD11 :: 1.232 HD12 :: 1.232 HD13 :: 1.232 HD21 :: 0.477 HD22 :: 0.477 HD23 :: 0.477 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 :: 121.945 Ave N Shift Values>> N :: 121.98(4.07) 1.S87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 173.683 CA :: 55.052 CB :: 65.487 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.642 HA :: 4.995 HB2 :: 3.181 HB3 :: 3.181 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 :: 111.719 Ave N Shift Values>> N :: 116.3(3.95) 1.A88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.3 C 0.26 L 0.25 G 0.06 M 0.06 K 0.02 P 0.01 C Shift Assignments>> C :: 178.012 CA :: 49.423 CB :: 22.919 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.472 HA :: 5.184 HB1 :: 1.721 HB2 :: 1.721 HB3 :: 1.721 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.939 Ave N Shift Values>> N :: 123.23(3.7) 1.S89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.039 CA :: 60.135 CB :: 63.571 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.182 HA :: 4.274 HB2 :: 3.842 HB3 :: 4.132 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 :: 111.359 Ave N Shift Values>> N :: 116.3(3.95) 1.S90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.66 T 0.33 C Shift Assignments>> C :: 173.114 CA :: 56.023 CB :: 67.108 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.392 HA :: 4.383 HB2 :: 3.884 HB3 :: 4.172 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 :: 113.112 Ave N Shift Values>> N :: 116.3(3.95) 1.A91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.5 A 0.43 C 0.02 I 0.02 C Shift Assignments>> C :: 179.816 CA :: 54.699 CB :: 18.111 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.532 HA :: 3.763 HB1 :: 1.347 HB2 :: 1.347 HB3 :: 1.347 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.767 Ave N Shift Values>> N :: 123.23(3.7) 1.E92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.37 C 0.32 E 0.24 K 0.04 C Shift Assignments>> C :: 179.568 CA :: 60.206 CB :: 28.721 CG :: 36.781 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 :: 8.766 HA :: 3.942 HB2 :: 2.022 HB3 :: 1.871 HG2 :: 2.351 HG3 :: 2.212 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 :: 118.712 Ave N Shift Values>> N :: 120.68(3.68) 1.L93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.47 C 0.32 R 0.13 G 0.06 C Shift Assignments>> C :: 178.805 CA :: 57.382 CB :: 43.115 CG :: 27.734 CD1 :: 24.744 CD2 :: 23.734 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 :: 7.852 HA :: 4.274 HB2 :: 1.863 HB3 :: 1.624 HG :: 1.682 HD11 :: 1.126 HD12 :: 1.126 HD13 :: 1.126 HD21 :: 1.086 HD22 :: 1.086 HD23 :: 1.086 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 :: 121.212 Ave N Shift Values>> N :: 121.98(4.07) 1.Q94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 K 0.23 Q 0.18 R 0.13 P 0.04 E 0.04 M 0.02 I 0.02 C Shift Assignments>> C :: 176.960 CA :: 59.694 CB :: 28.063 CG :: 33.054 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 :: 8.080 HA :: 3.843 HB2 :: 2.672 HB3 :: 2.192 HG2 :: 2.073 HG3 :: 2.472 HE21 :: 6.202 HE22 :: 7.273 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 :: 120.439 NE2 :: 108.917 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.Q95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 K 0.22 Q 0.21 R 0.13 E 0.05 I 0.02 M 0.01 P 0.01 C Shift Assignments>> C :: 177.938 CA :: 59.005 CB :: 27.610 CG :: 33.374 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 :: 8.293 HA :: 3.779 HB2 :: 2.123 HB3 :: 2.072 HG2 :: 2.412 HG3 :: 2.412 HE21 :: 6.751 HE22 :: 7.550 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 :: 117.408 NE2 :: 112.144 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.Q96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 K 0.23 Q 0.23 E 0.09 R 0.07 I 0.03 M 0.02 C Shift Assignments>> C :: 179.685 CA :: 58.987 CB :: 28.433 CG :: 33.738 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 :: 7.731 HA :: 3.966 HB2 :: 1.992 HB3 :: 1.992 HG2 :: 2.310 HG3 :: 1.987 HE21 :: 7.214 HE22 :: 6.581 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 :: 119.621 NE2 :: 111.021 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.W97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.68 C 0.3 C Shift Assignments>> C :: 178.515 CA :: 61.670 CB :: 29.972 CD1 :: 126.685 CE3 :: 118.700 CZ2 :: 114.067 CZ3 :: 120.672 CH2 :: 123.666 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 :: 8.410 HA :: 3.792 HB2 :: 2.741 HB3 :: 2.613 HD1 :: 7.177 HE1 :: 10.833 HE3 :: 7.227 HZ2 :: 6.789 HZ3 :: 6.661 HH2 :: 6.461 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 :: 121.370 NE1 :: 130.062 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.L98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 C 0.42 R 0.03 C Shift Assignments>> C :: 180.194 CA :: 58.706 CB :: 41.141 CG :: 26.911 CD1 :: 25.334 CD2 :: 22.767 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 :: 8.505 HA :: 3.485 HB2 :: 1.562 HB3 :: 1.230 HG :: 1.062 HD11 :: 0.572 HD12 :: 0.572 HD13 :: 0.572 HD21 :: 0.272 HD22 :: 0.272 HD23 :: 0.272 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 :: 119.038 Ave N Shift Values>> N :: 121.98(4.07) 1.E99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.32 I 0.22 K 0.07 Q 0.02 M 0.01 C Shift Assignments>> C :: 179.082 CA :: 59.587 CB :: 29.296 CG :: 36.288 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 :: 8.241 HA :: 3.927 HB2 :: 2.044 HB3 :: 1.952 HG2 :: 2.313 HG3 :: 2.182 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.886 Ave N Shift Values>> N :: 120.68(3.68) 1.T100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 C 0.01 C Shift Assignments>> C :: 176.899 CA :: 67.088 CB :: 68.178 CG2 :: 21.501 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.780 HA :: 3.862 HB :: 3.812 HG21 :: 0.982 HG22 :: 0.982 HG23 :: 0.982 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 :: 116.913 Ave N Shift Values>> N :: 115.7(5.05) 1.L101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.37 C 0.37 R 0.19 K 0.04 G 0.01 C Shift Assignments>> C :: 178.416 CA :: 58.017 CB :: 42.004 CG :: 27.264 CD1 :: 27.204 CD2 :: 25.074 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 :: 9.159 HA :: 3.993 HB2 :: 1.921 HB3 :: 1.342 HG :: 2.362 HD11 :: 1.003 HD12 :: 1.003 HD13 :: 1.003 HD21 :: 1.083 HD22 :: 1.083 HD23 :: 1.083 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 :: 121.065 Ave N Shift Values>> N :: 121.98(4.07) 1.S102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.370 CA :: 61.794 CB :: 62.855 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.978 HA :: 4.094 HB2 :: 3.992 HB3 :: 3.903 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 :: 112.923 Ave N Shift Values>> N :: 116.3(3.95) 1.T103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 C 0.01 C Shift Assignments>> C :: 176.061 CA :: 65.412 CB :: 68.918 CG2 :: 21.647 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.683 HA :: 4.020 HB :: 4.262 HG21 :: 1.244 HG22 :: 1.244 HG23 :: 1.244 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 :: 116.420 Ave N Shift Values>> N :: 115.7(5.05) 1.A104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.54 M 0.33 C 0.05 L 0.04 V 0.01 C Shift Assignments>> C :: 178.160 CA :: 54.011 CB :: 20.155 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.760 HA :: 4.272 HB1 :: 1.472 HB2 :: 1.472 HB3 :: 1.472 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.981 Ave N Shift Values>> N :: 123.23(3.7) 1.A105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.7 M 0.25 C 0.02 C Shift Assignments>> C :: 177.657 CA :: 53.058 CB :: 19.067 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.824 HA :: 4.092 HB1 :: 1.304 HB2 :: 1.304 HB3 :: 1.304 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 118.227 Ave N Shift Values>> N :: 123.23(3.7) 1.H106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.35 W 0.35 C 0.29 C Shift Assignments>> C :: 175.296 CA :: 56.287 CB :: 30.407 CD2 :: 120.781 CE1 :: 137.748 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 7.675 HA :: 4.703 HB2 :: 3.298 HB3 :: 3.161 HD2 :: 7.153 HE1 :: 8.024 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 115.860 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.S107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.345 CA :: 58.546 CB :: 64.130 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.015 HA :: 4.560 HB2 :: 3.912 HB3 :: 3.989 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 116.310 Ave N Shift Values>> N :: 116.3(3.95) 1.G108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.53 L 0.18 R 0.13 C 0.1 D 0.01 Y 0.01 C Shift Assignments>> C :: 171.750 CA :: 44.640 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.282 HA2 :: 4.213 HA3 :: 4.042 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.511 Ave N Shift Values>> N :: 109.91(4.29) 1.P109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.81 C 0.18 C Shift Assignments>> C :: 177.419 CA :: 63.241 CB :: 32.264 CG :: 27.158 CD :: 49.777 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 :: 4.497 HB2 :: 2.300 HB3 :: 1.992 HG2 :: 2.022 HG3 :: 2.022 HD2 :: 3.632 HD3 :: 3.632 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.S110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.715 CA :: 58.335 CB :: 63.759 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.558 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 :: 116.470 Ave N Shift Values>> N :: 116.3(3.95) 1.S111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.12 Y 0.12 W 0.11 C 0.1 E 0.09 R 0.07 K 0.06 Q 0.05 H 0.05 M 0.04 I 0.03 L 0.03 V 0.02 T 0.02 C Shift Assignments>> C :: 173.931 CA :: 58.335 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.357 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 :: 117.961 Ave N Shift Values>> N :: 116.3(3.95) 1.G112 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable ########################################################################### Overall Results: #Consistent: 102 #Clerical: 0 #Suspicious: 10 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 104 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 8 Shift Relative Order (SRO) Results: #Consistent: 112 #Suspicious: 0 C Shift Results: #Consistent: 453 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent: 692 #Duplicate: 0 #Unknown: 0 #Suspicious: 19 #Anomalous: 0 N Shift Results: #Consistent: 107 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 Error Summary: 1.L10 HG = 0.169(S), Expected = 1.54, Std = 0.3300, ChiSquare = 3.2593e-05 1.L10 HD21 = -0.596(S), Expected = 0.76, Std = 0.2800, ChiSquare = 1.2799e-06 1.L10 HD22 = -0.596(S), Expected = 0.76, Std = 0.2800, ChiSquare = 1.2799e-06 1.L10 HD23 = -0.596(S), Expected = 0.76, Std = 0.2800, ChiSquare = 1.2799e-06 1.L14 CB = 48.936(S), Expected = 42.37, Std = 1.8600, ChiSquare = 4.1539e-04 1.L14 HD21 = -0.458(S), Expected = 0.76, Std = 0.2800, ChiSquare = 1.3614e-05 1.L14 HD22 = -0.458(S), Expected = 0.76, Std = 0.2800, ChiSquare = 1.3614e-05 1.L14 HD23 = -0.458(S), Expected = 0.76, Std = 0.2800, ChiSquare = 1.3614e-05 1.S17 HB2 = 2.064(S), Expected = 3.88, Std = 0.2900, ChiSquare = 3.7990e-10 1.S17 HB3 = 1.654(S), Expected = 3.87, Std = 0.3100, ChiSquare = 8.7803e-13 1.E18 HG2 = 1.411(S), Expected = 2.31, Std = 0.2100, ChiSquare = 1.8610e-05 1.I53 HG21 = -0.313(S), Expected = 0.80, Std = 0.2900, ChiSquare = 1.2408e-04 1.I53 HG22 = -0.313(S), Expected = 0.80, Std = 0.2900, ChiSquare = 1.2408e-04 1.I53 HG23 = -0.313(S), Expected = 0.80, Std = 0.2900, ChiSquare = 1.2408e-04 1.P54 HD3 = 2.163(S), Expected = 3.63, Std = 0.4000, ChiSquare = 2.4493e-04 1.D70 HB3 = 1.544(S), Expected = 2.70, Std = 0.2900, ChiSquare = 6.7138e-05 1.W75 HE1 = 7.170(S), Expected = 10.13, Std = 0.5300, ChiSquare = 2.3383e-08 1.W75 NE1 = 120.111(S), Expected = 129.48, Std = 2.5600, ChiSquare = 2.5245e-04 1.Q82 HB2 = 0.914(S), Expected = 2.05, Std = 0.2800, ChiSquare = 4.9677e-05 1.L86 HB2 = 0.173(S), Expected = 1.63, Std = 0.3400, ChiSquare = 1.8250e-05 1.L86 HB3 = -0.557(S), Expected = 1.57, Std = 0.3600, ChiSquare = 3.4559e-09