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: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 171.712 CA :: 55.845 CB :: 61.246 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> HA :: 4.437 HB2 :: 3.815 HB3 :: 3.815 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.G7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.36 R 0.22 K 0.17 D 0.1 F 0.08 I 0.02 G 0.01 N 0.01 C Shift Assignments>> C :: 170.176 CA :: 42.494 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.169 HA2 :: 3.807 HA3 :: 4.265 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.795 Ave N Shift Values>> N :: 109.91(4.29) 1.R8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.7 L 0.12 R 0.09 A 0.07 C Shift Assignments>> C :: 171.264 CA :: 51.991 CB :: 30.273 CG :: 24.180 CD :: 40.907 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 :: 8.880 HA :: 4.623 HB2 :: 1.648 HB3 :: 1.648 HG2 :: 1.488 HG3 :: 1.312 HD2 :: 3.041 HD3 :: 3.041 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 120.318 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.M9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.53 A 0.46 C Shift Assignments>> C :: 174.016 CA :: 50.821 CB :: 29.576 CG :: 29.640 CE :: 14.290 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 :: 8.395 HA :: 5.341 HB2 :: 2.379 HB3 :: 2.499 HG2 :: 1.909 HG3 :: 1.677 HE1 :: 1.881 HE2 :: 1.881 HE3 :: 1.881 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 :: 120.173 Ave N Shift Values>> N :: 120.1(3.88) 1.V10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.87 A 0.09 I 0.02 C Shift Assignments>> C :: 171.363 CA :: 58.912 CB :: 32.806 CG1 :: 18.718 CG2 :: 18.921 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 :: 9.175 HA :: 4.186 HB :: 1.779 HG11 :: 0.754 HG12 :: 0.754 HG13 :: 0.754 HG21 :: 0.755 HG22 :: 0.755 HG23 :: 0.755 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 :: 124.931 Ave N Shift Values>> N :: 121.02(4.96) 1.G11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.29 L 0.27 D 0.15 F 0.11 R 0.1 I 0.03 N 0.02 C Shift Assignments>> C :: 170.564 CA :: 41.950 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.434 HA2 :: 3.349 HA3 :: 5.034 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 114.169 Ave N Shift Values>> N :: 109.91(4.29) 1.I12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.91 A 0.08 C Shift Assignments>> C :: 171.426 CA :: 56.946 CB :: 39.114 CG1 :: 24.897 CG2 :: 14.743 CD1 :: 11.414 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 :: 8.819 HA :: 4.336 HB :: 1.612 HG12 :: 1.294 HG13 :: 0.989 HG21 :: 0.644 HG22 :: 0.644 HG23 :: 0.644 HD11 :: 0.594 HD12 :: 0.594 HD13 :: 0.594 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 :: 122.749 Ave N Shift Values>> N :: 121.6(4.72) 1.R13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.48 L 0.47 R 0.02 A 0.01 C Shift Assignments>> C :: 172.622 CA :: 52.170 CB :: 28.752 CG :: 24.765 CD :: 40.541 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 :: 8.246 HA :: 5.110 HB2 :: 1.529 HB3 :: 1.608 HG2 :: 1.390 HG3 :: 1.390 HD2 :: 3.030 HD3 :: 3.030 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 :: 126.079 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.K14 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.9 M 0.09 C Shift Assignments>> C :: 172.027 CA :: 51.688 CB :: 31.286 CG :: 16.845(A) CD :: 25.716 CE :: 38.283(S) 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 :: 8.384 HA :: 4.973 HB2 :: 2.030 HB3 :: 1.333 HG2 :: 1.202 HG3 :: 1.142 HD2 :: 1.668 HD3 :: 1.110 HE2 :: 2.747 HE3 :: 2.904 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 :: 119.306 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.T15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.57 A 0.36 S 0.05 C Shift Assignments>> C :: 173.063 CA :: 57.799 CB :: 68.397 CG2 :: 19.183 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 :: 8.797 HA :: 4.711 HB :: 4.093 HG21 :: 1.188 HG22 :: 1.188 HG23 :: 1.188 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 114.299 Ave N Shift Values>> N :: 115.7(5.05) 1.A16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.57 M 0.42 C Shift Assignments>> C :: 175.683 CA :: 51.412 CB :: 15.704 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.811 HA :: 3.974 HB1 :: 1.308 HB2 :: 1.308 HB3 :: 1.308 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 129.084 Ave N Shift Values>> N :: 123.23(3.7) 1.G17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.33 R 0.33 K 0.11 D 0.08 F 0.06 G 0.03 I 0.01 C Shift Assignments>> C :: 171.485 CA :: 42.825 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.417 HA2 :: 3.350 HA3 :: 4.244 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.379 Ave N Shift Values>> N :: 109.91(4.29) 1.E18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.4 K 0.34 E 0.09 R 0.07 M 0.07 C Shift Assignments>> C :: 173.769 CA :: 53.422 CB :: 28.752 CG :: 33.907 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 :: 7.167 HA :: 4.254 HB2 :: 1.902 HB3 :: 1.902 HG2 :: 2.145 HG3 :: 2.200 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 :: 119.519 Ave N Shift Values>> N :: 120.68(3.68) 1.H19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.99 HN Overlap>> 1.K55 1.K55 C Shift Assignments>> C :: 174.008 CA :: 53.549 CB :: 29.180 CD2 :: 116.412 CE1 :: 135.864 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 :: 8.786 HA :: 4.482 HB2 :: 3.150 HB3 :: 2.954 HD2 :: 7.044 HE1 :: 7.632 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 124.097 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.L20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.63 A 0.36 C Shift Assignments>> C :: 174.129 CA :: 54.000 CB :: 40.534 CG :: 25.217 CD1 :: 22.826 CD2 :: 22.107 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 :: 8.607 HA :: 4.187 HB2 :: 1.520 HB3 :: 1.621 HG :: 1.675 HD11 :: 0.751 HD12 :: 0.751 HD13 :: 0.751 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 :: 123.051 Ave N Shift Values>> N :: 121.98(4.07) 1.G21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.33 L 0.3 G 0.25 D 0.03 F 0.03 K 0.02 C Shift Assignments>> C :: 171.961 CA :: 43.953 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.678 HA2 :: 3.690 HA3 :: 4.018 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.134 Ave N Shift Values>> N :: 109.91(4.29) 1.V22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.72 V 0.27 C Shift Assignments>> C :: 171.042 CA :: 56.341 CB :: 32.812 CG1 :: 20.310 CG2 :: 18.247 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 :: 7.643 HA :: 4.837 HB :: 1.668 HG11 :: 0.490 HG12 :: 0.490 HG13 :: 0.490 HG21 :: 0.343 HG22 :: 0.343 HG23 :: 0.343 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 :: 116.318 Ave N Shift Values>> N :: 121.02(4.96) 1.T23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.54 A 0.37 S 0.08 C Shift Assignments>> C :: 171.114 CA :: 57.612 CB :: 68.129 CG2 :: 19.478 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 :: 8.080 HA :: 4.314 HB :: 3.982 HG21 :: 1.004 HG22 :: 1.004 HG23 :: 1.004 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 :: 115.076 Ave N Shift Values>> N :: 115.7(5.05) 1.F24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.98 G 0.01 C Shift Assignments>> C :: 172.176 CA :: 54.111 CB :: 40.407 CD1 :: 129.134 CD2 :: 129.134 CE1 :: 128.075 CE2 :: 128.075 CZ :: 126.213 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 :: 8.763 HA :: 5.593 HB2 :: 2.964 HB3 :: 2.641 HD1 :: 7.023 HD2 :: 7.023 HE1 :: 6.831 HE2 :: 6.831 HZ :: 6.590 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 :: 120.676 Ave N Shift Values>> N :: 120.69(4.18) 1.R25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.78 R 0.09 A 0.06 L 0.04 C Shift Assignments>> C :: 170.470 CA :: 51.688 CB :: 30.843 CG :: 24.621 CD :: 40.430 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 9.346 HA :: 4.700 HB2 :: 1.582 HB3 :: 1.826 HG2 :: 1.287 HG3 :: 1.287 HD2 :: 3.018 HD3 :: 3.124 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 :: 118.776 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.V26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.4 V 0.37 A 0.22 C Shift Assignments>> C :: 173.684 CA :: 58.637 CB :: 29.745 CG1 :: 18.906 CG2 :: 18.266 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 :: 8.514 HA :: 4.840 HB :: 1.855 HG11 :: 0.831 HG12 :: 0.831 HG13 :: 0.831 HG21 :: 0.799 HG22 :: 0.799 HG23 :: 0.799 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 121.550 Ave N Shift Values>> N :: 121.02(4.96) 1.E27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.37 K 0.3 M 0.18 E 0.06 R 0.06 C Shift Assignments>> C :: 174.455 CA :: 52.788 CB :: 29.644 CG :: 33.452 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 :: 9.082 HA :: 4.546 HB2 :: 1.811 HB3 :: 1.711 HG2 :: 1.986 HG3 :: 2.093 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 :: 129.084 Ave N Shift Values>> N :: 120.68(3.68) 1.G28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.65 L 0.18 R 0.12 F 0.01 D 0.01 C Shift Assignments>> C :: 172.769 CA :: 44.760 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> HA2 :: 3.790 HA3 :: 3.790 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) 1.G29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.36 R 0.2 K 0.18 D 0.11 F 0.08 I 0.02 G 0.01 N 0.01 C Shift Assignments>> C :: 170.335 CA :: 42.439 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.126 HA2 :: 3.518 HA3 :: 3.985 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.638 Ave N Shift Values>> N :: 109.91(4.29) 1.E30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.26 P 0.25 K 0.23 M 0.14 R 0.06 E 0.02 C Shift Assignments>> C :: 171.928 CA :: 51.413 CB :: 29.449 CG :: 33.277 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 :: 7.524 HA :: 4.523 HB2 :: 1.967 HB3 :: 1.787 HG2 :: 2.155 HG3 :: 1.988 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 :: 118.761 Ave N Shift Values>> N :: 120.68(3.68) 1.L31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.67 L 0.32 C Shift Assignments>> C :: 172.050 CA :: 51.496 CB :: 39.647 CG :: 24.222 CD1 :: 24.650 CD2 :: 22.421 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 :: 8.873 HA :: 4.780 HB2 :: 0.690 HB3 :: 1.604 HG :: 1.515 HD11 :: 0.279 HD12 :: 0.279 HD13 :: 0.279 HD21 :: 0.374 HD22 :: 0.374 HD23 :: 0.374 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 :: 121.028 Ave N Shift Values>> N :: 121.98(4.07) 1.V32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.83 V 0.15 C Shift Assignments>> C :: 174.554 CA :: 56.341 CB :: 32.773 CG1 :: 18.805 CG2 :: 18.646 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 :: 8.757 HA :: 4.998 HB :: 1.706 HG11 :: 0.757 HG12 :: 0.757 HG13 :: 0.757 HG21 :: 0.743 HG22 :: 0.743 HG23 :: 0.743 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 :: 120.243 Ave N Shift Values>> N :: 121.02(4.96) 1.I33 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>> C :: 172.830 CA :: 61.114 CB :: 33.978 CG1 :: 25.909 CG2 :: 15.103 CD1 :: 11.645 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 :: 8.927 HA :: 3.767 HB :: 2.060 HG12 :: 1.782 HG13 :: 0.885 HG21 :: 0.494 HG22 :: 0.494 HG23 :: 0.494 HD11 :: 0.781 HD12 :: 0.781 HD13 :: 0.781 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 :: 123.429 Ave N Shift Values>> N :: 121.6(4.72) 1.A34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.88 M 0.11 C Shift Assignments>> C :: 174.005 CA :: 50.009 CB :: 17.701 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.204 HA :: 4.344 HB1 :: 1.120 HB2 :: 1.120 HB3 :: 1.120 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 134.465 Ave N Shift Values>> N :: 123.23(3.7) 1.R35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.82 R 0.13 A 0.01 L 0.01 C Shift Assignments>> C :: 170.838 CA :: 52.897 CB :: 31.286 CG :: 24.663 CD :: 41.031 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.145 HA :: 4.210 HB2 :: 1.542 HB3 :: 1.542 HG2 :: 1.289 HG3 :: 1.386 HD2 :: 2.979 HD3 :: 2.979 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 :: 115.522 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.I36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.96 A 0.03 C Shift Assignments>> C :: 172.920 CA :: 57.882 CB :: 36.923 CG1 :: 25.440 CG2 :: 15.245 CD1 :: 11.075 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 :: 8.409 HA :: 4.155 HB :: 1.476 HG12 :: 1.221 HG13 :: 0.627 HG21 :: 0.662 HG22 :: 0.662 HG23 :: 0.662 HD11 :: 0.510 HD12 :: 0.510 HD13 :: 0.510 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 :: 123.427 Ave N Shift Values>> N :: 121.6(4.72) 1.L37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.96 L 0.03 C Shift Assignments>> C :: 174.789 CA :: 52.683 CB :: 38.855 CG :: 24.875 CD1 :: 21.835 CD2 :: 20.909 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 :: 8.095 HA :: 4.116 HB2 :: 1.335 HB3 :: 1.417 HG :: 1.295 HD11 :: 0.669 HD12 :: 0.669 HD13 :: 0.669 HD21 :: 0.641 HD22 :: 0.641 HD23 :: 0.641 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 :: 128.086 Ave N Shift Values>> N :: 121.98(4.07) 1.H38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.99 C Shift Assignments>> C :: 174.435 CA :: 55.900 CB :: 27.802 CD2 :: 116.858 CE1 :: 136.183 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 :: 8.706 HA :: 4.088 HB2 :: 2.907 HB3 :: 3.011 HD2 :: 6.912 HE1 :: 7.685 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 :: 125.696 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.G39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.35 R 0.26 K 0.15 D 0.09 F 0.07 G 0.02 I 0.02 N 0.01 C Shift Assignments>> C :: 171.927 CA :: 42.632 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.362 HA2 :: 3.911 HA3 :: 3.501 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.636 Ave N Shift Values>> N :: 109.91(4.29) 1.G40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 K 0.26 D 0.14 R 0.12 F 0.1 I 0.03 N 0.01 C Shift Assignments>> C :: 171.293 CA :: 42.068 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.389 HA2 :: 4.213 HA3 :: 3.819 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.452 Ave N Shift Values>> N :: 109.91(4.29) 1.M41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.9 A 0.08 C Shift Assignments>> C :: 176.153 CA :: 56.667 CB :: 30.653 CG :: 28.866 CE :: 14.603 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 :: 8.463 HA :: 3.995 HB2 :: 2.164 HB3 :: 2.018 HG2 :: 2.399 HG3 :: 2.577 HE1 :: 1.996 HE2 :: 1.996 HE3 :: 1.996 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 117.954 Ave N Shift Values>> N :: 120.1(3.88) 1.V42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 176.270 CA :: 63.639 CB :: 28.669 CG1 :: 21.644 CG2 :: 20.335 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 :: 7.899 HA :: 3.596 HB :: 1.825 HG11 :: 0.866 HG12 :: 0.866 HG13 :: 0.866 HG21 :: 0.758 HG22 :: 0.758 HG23 :: 0.758 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 :: 117.702 Ave N Shift Values>> N :: 121.02(4.96) 1.A43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.53 M 0.45 C Shift Assignments>> C :: 177.253 CA :: 52.206 CB :: 16.004 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.649 HA :: 3.912 HB1 :: 1.351 HB2 :: 1.351 HB3 :: 1.351 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.945 Ave N Shift Values>> N :: 123.23(3.7) 1.Q44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.53 K 0.35 Q 0.06 M 0.03 C Shift Assignments>> C :: 175.295 CA :: 55.735 CB :: 26.409 CG :: 31.516 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 :: 8.048 HA :: 3.903 HB2 :: 2.010 HB3 :: 2.010 HG2 :: 2.333 HG3 :: 2.203 HE21 :: 7.146 HE22 :: 6.704 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 :: 115.636 NE2 :: 111.485 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.Q45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.53 K 0.29 Q 0.12 M 0.04 C Shift Assignments>> C :: 175.060 CA :: 54.496 CB :: 26.982 CG :: 31.774 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 :: 7.699 HA :: 4.157 HB2 :: 1.929 HB3 :: 2.137 HG2 :: 2.483 HG3 :: 2.207 HE21 :: 7.415 HE22 :: 6.648 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 115.982 NE2 :: 110.985 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.G46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.49 L 0.24 R 0.2 F 0.02 D 0.02 C Shift Assignments>> C :: 171.908 CA :: 44.460 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.628 HA2 :: 3.791 HA3 :: 3.853 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.266 Ave N Shift Values>> N :: 109.91(4.29) 1.L47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.96 L 0.02 G 0.01 C Shift Assignments>> C :: 174.028 CA :: 53.312 CB :: 41.737 CG :: 24.336 CD1 :: 19.989 CD2 :: 23.049 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 :: 7.961 HA :: 4.203 HB2 :: 1.428 HB3 :: 1.301 HG :: 1.441 HD11 :: 0.789 HD12 :: 0.789 HD13 :: 0.789 HD21 :: 0.834 HD22 :: 0.834 HD23 :: 0.834 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 :: 116.942 Ave N Shift Values>> N :: 121.98(4.07) 1.L48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.84 L 0.1 G 0.05 C Shift Assignments>> C :: 171.397 CA :: 50.422 CB :: 41.611 CG :: 24.319 CD1 :: 22.338 CD2 :: 21.557 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 :: 7.310 HA :: 4.287 HB2 :: 1.278 HB3 :: 1.136 HG :: 1.386 HD11 :: 0.633 HD12 :: 0.633 HD13 :: 0.633 HD21 :: 0.765 HD22 :: 0.765 HD23 :: 0.765 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 :: 116.796 Ave N Shift Values>> N :: 121.98(4.07) 1.H49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.99 C Shift Assignments>> C :: 171.852 CA :: 51.743 CB :: 29.702 CD2 :: 117.829 CE1 :: 133.774 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 :: 8.706 HA :: 4.610 HB2 :: 3.030 HB3 :: 2.721 HD2 :: 7.049 HE1 :: 8.014 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 :: 117.484 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.V50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.8 I 0.19 C Shift Assignments>> C :: 174.851 CA :: 62.837 CB :: 28.705 CG1 :: 20.079 CG2 :: 18.652 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 :: 8.551 HA :: 3.214 HB :: 1.792 HG11 :: 0.819 HG12 :: 0.819 HG13 :: 0.819 HG21 :: 0.823 HG22 :: 0.823 HG23 :: 0.823 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 122.136 Ave N Shift Values>> N :: 121.02(4.96) 1.G51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.31 K 0.25 D 0.14 R 0.12 F 0.1 I 0.03 N 0.01 C Shift Assignments>> C :: 171.154 CA :: 42.107 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.949 HA2 :: 3.317 HA3 :: 4.382 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 116.696 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>> N 0.58 D 0.25 F 0.08 L 0.05 E 0.01 C Shift Assignments>> C :: 172.546 CA :: 53.065 CB :: 38.848 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 :: 7.880 HA :: 4.652 HB2 :: 2.346 HB3 :: 2.812 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 121.037 Ave N Shift Values>> N :: 120.73(4.2) 1.I53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.97 A 0.02 C Shift Assignments>> C :: 173.971 CA :: 58.019 CB :: 38.127 CG1 :: 26.087 CG2 :: 15.616 CD1 :: 11.756 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 :: 8.657 HA :: 4.573 HB :: 1.710 HG12 :: 0.871 HG13 :: 1.689 HG21 :: 0.734 HG22 :: 0.734 HG23 :: 0.734 HD11 :: 0.766 HD12 :: 0.766 HD13 :: 0.766 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 121.409 Ave N Shift Values>> N :: 121.6(4.72) 1.I54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.49 A 0.45 M 0.04 C Shift Assignments>> C :: 171.607 CA :: 57.028 CB :: 34.833 CG1 :: 25.152 CG2 :: 15.462 CD1 :: 9.773 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 :: 8.455 HA :: 4.361 HB :: 1.639 HG12 :: 1.334 HG13 :: 1.174 HG21 :: 0.628 HG22 :: 0.628 HG23 :: 0.628 HD11 :: 0.690 HD12 :: 0.690 HD13 :: 0.690 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 125.318 Ave N Shift Values>> N :: 121.6(4.72) 1.K55 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.93 M 0.05 HN Overlap>> 1.H19 1.H19 C Shift Assignments>> C :: 175.135 CA :: 52.713 CB :: 31.286 CG :: 21.045 CD :: 25.247 CE :: 38.831 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 :: 8.838 HA :: 4.544 HB2 :: 1.813 HB3 :: 1.427 HG2 :: 1.319 HG3 :: 1.376 HD2 :: 1.584 HD3 :: 1.584 HE2 :: 2.747 HE3 :: 2.951 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 :: 124.042 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.87 Q 0.09 E 0.02 C Shift Assignments>> C :: 172.506 CA :: 52.184 CB :: 33.376 CG :: 33.441 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 :: 7.458 HA :: 5.031 HB2 :: 1.848 HB3 :: 1.481 HG2 :: 1.695 HG3 :: 1.851 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 :: 115.119 Ave N Shift Values>> N :: 120.68(3.68) 1.V57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.49 A 0.27 I 0.23 HN Overlap>> 1.S79 1.S79 C Shift Assignments>> C :: 173.339 CA :: 58.355 CB :: 31.223 CG1 :: 18.986 CG2 :: 17.930 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 :: 8.256 HA :: 4.434 HB :: 1.671 HG11 :: 0.592 HG12 :: 0.592 HG13 :: 0.592 HG21 :: 0.559 HG22 :: 0.559 HG23 :: 0.559 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 :: 118.579 Ave N Shift Values>> N :: 121.02(4.96) 1.N58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.4 M 0.23 Q 0.11 K 0.09 N 0.05 H 0.03 E 0.02 R 0.02 C Shift Assignments>> C :: 172.994 CA :: 51.385 CB :: 34.136 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 9.990 HA :: 4.352 HB2 :: 3.067 HB3 :: 2.774 HD21 :: 7.734 HD22 :: 6.673 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 :: 128.799 ND2 :: 110.884 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.G59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.34 R 0.3 K 0.13 D 0.09 F 0.07 G 0.02 I 0.01 C Shift Assignments>> C :: 170.872 CA :: 42.742 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.966 HA2 :: 3.954 HA3 :: 3.634 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 103.073 Ave N Shift Values>> N :: 109.91(4.29) 1.Q60 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.95 R 0.02 C Shift Assignments>> C :: 170.855 CA :: 49.236(S) CB :: 27.211 CG :: 30.453 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 :: 7.733 HA :: 4.824 HB2 :: 1.896 HB3 :: 2.039 HG2 :: 2.302 HG3 :: 2.244 HE21 :: 7.388 HE22 :: 6.748 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 :: 119.598 NE2 :: 112.215 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.P61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.67 P 0.31 C Shift Assignments>> C :: 175.243 CA :: 60.194 CB :: 29.733 CG :: 24.937 CD :: 48.360 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 :: 4.676 HB2 :: 2.391 HB3 :: 1.896 HG2 :: 2.017 HG3 :: 1.941 HD2 :: 3.627 HD3 :: 3.822 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.V62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.82 V 0.11 A 0.06 C Shift Assignments>> C :: 173.783 CA :: 59.258 CB :: 30.019 CG1 :: 20.335 CG2 :: 16.160 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 :: 7.243 HA :: 4.017 HB :: 2.012 HG11 :: 0.657 HG12 :: 0.657 HG13 :: 0.657 HG21 :: 0.788 HG22 :: 0.788 HG23 :: 0.788 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 :: 113.700 Ave N Shift Values>> N :: 121.02(4.96) 1.G63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.35 R 0.24 K 0.16 D 0.1 F 0.07 I 0.02 G 0.02 N 0.01 C Shift Assignments>> C :: 170.847 CA :: 42.577 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.129 HA2 :: 3.869 HA3 :: 3.869 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.977 Ave N Shift Values>> N :: 109.91(4.29) 1.S64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 170.439 CA :: 54.771 CB :: 61.404 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.339 HA :: 4.372 HB2 :: 3.674 HB3 :: 3.756 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 :: 111.633 Ave N Shift Values>> N :: 116.3(3.95) 1.D65 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 N 0.04 D 0.02 C Shift Assignments>> C :: 173.171 CA :: 47.499(S) CB :: 40.327 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 :: 7.991 HA :: 5.153 HB2 :: 2.851 HB3 :: 2.503 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 :: 120.866 Ave N Shift Values>> N :: 120.73(4.2) 1.P66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.71 G 0.26 A 0.01 C Shift Assignments>> C :: 175.398 CA :: 62.563 CB :: 30.146 CG :: 24.327 CD :: 48.672 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 3.932 HB2 :: 1.987 HB3 :: 2.189 HG2 :: 1.869 HG3 :: 2.178 HD2 :: 3.785 HD3 :: 4.108 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.R67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.64 K 0.34 C Shift Assignments>> C :: 176.486 CA :: 56.533 CB :: 26.858 CG :: 24.628 CD :: 40.550 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.753 HA :: 4.043 HB2 :: 1.903 HB3 :: 1.903 HG2 :: 1.678 HG3 :: 1.583 HD2 :: 3.175 HD3 :: 3.175 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 :: 119.823 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.A68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.52 A 0.47 C Shift Assignments>> C :: 178.280 CA :: 51.688 CB :: 15.372 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.407 HA :: 4.044 HB1 :: 1.358 HB2 :: 1.358 HB3 :: 1.358 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.091 Ave N Shift Values>> N :: 123.23(3.7) 1.L69 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.97 L 0.01 V 0.01 C Shift Assignments>> C :: 175.109 CA :: 54.881 CB :: 37.680 CG :: 24.707 CD1 :: 20.549 CD2 :: 23.372 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 :: 7.254 HA :: 4.095 HB2 :: 1.053 HB3 :: 1.379 HG :: 0.997 HD11 :: 0.668 HD12 :: 0.668 HD13 :: 0.668 HD21 :: -0.223(S) HD22 :: -0.223(S) HD23 :: -0.223(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 :: 118.797 Ave N Shift Values>> N :: 121.98(4.07) 1.Q70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.52 K 0.37 Q 0.05 M 0.03 C Shift Assignments>> C :: 176.182 CA :: 57.419 CB :: 26.282 CG :: 31.458 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 :: 7.892 HA :: 4.054 HB2 :: 2.321 HB3 :: 2.321 HG2 :: 2.611 HG3 :: 2.557 HE21 :: 7.610 HE22 :: 6.967 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 :: 118.300 NE2 :: 112.158 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.E71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.34 K 0.3 R 0.28 E 0.03 M 0.02 C Shift Assignments>> C :: 175.080 CA :: 56.422 CB :: 26.915 CG :: 33.132 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 :: 7.865 HA :: 4.030 HB2 :: 1.958 HB3 :: 1.904 HG2 :: 2.215 HG3 :: 2.215 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.L72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.73 A 0.26 C Shift Assignments>> C :: 177.968 CA :: 56.120 CB :: 39.710 CG :: 24.507 CD1 :: 22.649 CD2 :: 22.387 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 :: 7.987 HA :: 3.975 HB2 :: 1.799 HB3 :: 1.730 HG :: 1.523 HD11 :: 0.786 HD12 :: 0.786 HD13 :: 0.786 HD21 :: 0.691 HD22 :: 0.691 HD23 :: 0.691 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 :: 122.286 Ave N Shift Values>> N :: 121.98(4.07) 1.L73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.87 L 0.12 C Shift Assignments>> C :: 176.267 CA :: 54.744 CB :: 39.391 CG :: 24.433 CD1 :: 23.324 CD2 :: 20.770 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 :: 8.201 HA :: 3.821 HB2 :: 1.225 HB3 :: 1.977 HG :: 1.723 HD11 :: 0.780 HD12 :: 0.780 HD13 :: 0.780 HD21 :: 0.653 HD22 :: 0.653 HD23 :: 0.653 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 :: 117.406 Ave N Shift Values>> N :: 121.98(4.07) 1.R74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.5 K 0.46 R 0.02 C Shift Assignments>> C :: 175.852 CA :: 56.721 CB :: 27.591 CG :: 24.765 CD :: 40.790 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 :: 8.227 HA :: 3.906 HB2 :: 1.804 HB3 :: 1.804 HG2 :: 1.092 HG3 :: 1.042 HD2 :: 2.825 HD3 :: 2.925 HE :: 7.659 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 120.413 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.N75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.72 M 0.08 E 0.06 D 0.04 F 0.03 K 0.02 C Shift Assignments>> C :: 172.197 CA :: 51.858 CB :: 36.662 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 :: 7.802 HA :: 4.345 HB2 :: 2.673 HB3 :: 2.673 HD21 :: 6.821 HD22 :: 7.341 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 114.788 ND2 :: 113.198 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.A76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.77 M 0.21 C Shift Assignments>> C :: 172.525 CA :: 50.174 CB :: 16.314 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.277 HA :: 4.089 HB1 :: 1.288 HB2 :: 1.288 HB3 :: 1.288 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.806 Ave N Shift Values>> N :: 123.23(3.7) 1.S77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.94 P 0.04 C Shift Assignments>> C :: 171.264 CA :: 53.725 CB :: 63.970 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.032 HA :: 4.329 HB2 :: 3.726 HB3 :: 3.587 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 :: 110.964 Ave N Shift Values>> N :: 116.3(3.95) 1.G78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.34 R 0.28 K 0.14 D 0.09 F 0.07 G 0.02 I 0.01 C Shift Assignments>> C :: 171.146 CA :: 42.687 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.415 HA2 :: 3.577 HA3 :: 4.120 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.648 Ave N Shift Values>> N :: 109.91(4.29) 1.S79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.V57 1.V57 C Shift Assignments>> C :: 171.538 CA :: 55.294 CB :: 60.289 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.342 HA :: 4.618 HB2 :: 3.636 HB3 :: 3.636 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 :: 118.530 Ave N Shift Values>> N :: 116.3(3.95) 1.V80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.6 I 0.22 A 0.17 C Shift Assignments>> C :: 171.740 CA :: 58.708 CB :: 30.629 CG1 :: 18.894 CG2 :: 18.402 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 :: 8.966 HA :: 4.299 HB :: 1.822 HG11 :: 0.585 HG12 :: 0.585 HG13 :: 0.585 HG21 :: 0.621 HG22 :: 0.621 HG23 :: 0.621 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 129.868 Ave N Shift Values>> N :: 121.02(4.96) 1.I81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.77 I 0.21 C Shift Assignments>> C :: 173.255 CA :: 56.616 CB :: 35.656 CG1 :: 24.357 CG2 :: 15.478 CD1 :: 8.729 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 :: 8.312 HA :: 4.686 HB :: 1.791 HG12 :: 1.333 HG13 :: 1.166 HG21 :: 0.684 HG22 :: 0.684 HG23 :: 0.684 HD11 :: 0.625 HD12 :: 0.625 HD13 :: 0.625 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 :: 125.725 Ave N Shift Values>> N :: 121.6(4.72) 1.L82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.72 A 0.25 G 0.02 C Shift Assignments>> C :: 172.663 CA :: 50.848 CB :: 41.311 CG :: 25.119 CD1 :: 22.902 CD2 :: 23.277 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 :: 9.361 HA :: 5.086 HB2 :: 1.269 HB3 :: 1.758 HG :: 1.631 HD11 :: 0.704 HD12 :: 0.704 HD13 :: 0.704 HD21 :: 0.705 HD22 :: 0.705 HD23 :: 0.705 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 :: 129.369 Ave N Shift Values>> N :: 121.98(4.07) 1.K83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.63 K 0.18 M 0.11 R 0.04 C Shift Assignments>> C :: 172.667 CA :: 53.147 CB :: 32.109 CG :: 22.984 CD :: 26.733 CE :: 39.462 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 :: 8.274 HA :: 5.036 HB2 :: 1.548 HB3 :: 1.548 HG2 :: 0.965 HG3 :: 1.186 HD2 :: 1.401 HD3 :: 1.349 HE2 :: 2.636 HE3 :: 2.750 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 123.478 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.I84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.72 I 0.27 C Shift Assignments>> C :: 172.659 CA :: 55.102 CB :: 38.228 CG1 :: 24.020 CG2 :: 15.664 CD1 :: 10.817 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 :: 9.060 HA :: 5.314 HB :: 1.807 HG12 :: 1.137 HG13 :: 1.137 HG21 :: 0.744 HG22 :: 0.744 HG23 :: 0.744 HD11 :: 0.640 HD12 :: 0.640 HD13 :: 0.640 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 :: 126.059 Ave N Shift Values>> N :: 121.6(4.72) 1.L85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.77 L 0.17 G 0.05 C Shift Assignments>> C :: 173.527 CA :: 50.945 CB :: 41.852 CG :: 24.789 CD1 :: 22.479 CD2 :: 21.448 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 :: 9.035 HA :: 4.776 HB2 :: 1.577 HB3 :: 1.427 HG :: 1.451 HD11 :: 0.791 HD12 :: 0.791 HD13 :: 0.791 HD21 :: 0.750 HD22 :: 0.750 HD23 :: 0.750 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 124.311 Ave N Shift Values>> N :: 121.98(4.07) 1.S86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.093 CA :: 56.133 CB :: 61.436 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.409 HA :: 4.511 HB2 :: 3.658 HB3 :: 3.819 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 :: 118.959 Ave N Shift Values>> N :: 116.3(3.95) 1.G87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 K 0.26 D 0.14 R 0.12 F 0.1 I 0.03 N 0.01 C Shift Assignments>> C :: 169.583 CA :: 42.079 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.544 HA2 :: 4.149 HA3 :: 3.840 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.712 Ave N Shift Values>> N :: 109.91(4.29) 1.P88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.98 C Shift Assignments>> C :: 174.861 CA :: 60.855 CB :: 29.543 CG :: 24.471 CD :: 47.235 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 :: 4.334 HB2 :: 1.864 HB3 :: 2.178 HG2 :: 1.914 HG3 :: 1.914 HD2 :: 3.540 HD3 :: 3.540 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.S89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 171.992 CA :: 55.685 CB :: 61.317 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.405 HA :: 4.427 HB2 :: 3.799 HB3 :: 3.799 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 :: 115.874 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 0.99 C Shift Assignments>> C :: 171.251 CA :: 55.735 CB :: 61.457 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.086 HA :: 4.336 HB2 :: 3.774 HB3 :: 3.774 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 :: 117.710 Ave N Shift Values>> N :: 116.3(3.95) 1.G91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.42 L 0.31 G 0.09 D 0.05 K 0.05 F 0.04 I 0.01 C Shift Assignments>> C :: 176.325 CA :: 43.393 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.883 HA2 :: 3.676 HA3 :: 3.624 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 116.673 Ave N Shift Values>> N :: 109.91(4.29) ########################################################################### Overall Results: #Consistent: 86 #Clerical: 0 #Suspicious: 2 #Anomalous: 0 #Mistyped: 3 #Indeterminable: 0 Typing Results: #Consistent: 83 #Suspicious: 0 #Mistyped: 3 #Indeterminable: 5 Shift Relative Order (SRO) Results: #Consistent: 91 #Suspicious: 0 C Shift Results: #Consistent: 361 #Duplicate: 0 #Unknown: 0 #Suspicious: 3 #Anomalous: 1 H Shift Results: #Consistent: 600 #Duplicate: 0 #Unknown: 0 #Suspicious: 3 #Anomalous: 0 N Shift Results: #Consistent: 87 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.K14 Typing: Mistyped 1.K14 CG = 16.845(A), Expected = 24.91, Std = 1.3100, ChiSquare = 7.4376e-10 1.K14 CE = 38.283(S), Expected = 41.78, Std = 0.9800, ChiSquare = 3.5921e-04 1.K55 Typing: Mistyped 1.Q60 Typing: Mistyped 1.Q60 CA = 49.236(S), Expected = 56.62, Std = 2.1900, ChiSquare = 7.4709e-04 1.D65 CA = 47.499(S), Expected = 54.52, Std = 2.1000, ChiSquare = 8.2778e-04 1.L69 HD21 = -0.223(S), Expected = 0.76, Std = 0.2800, ChiSquare = 4.4690e-04 1.L69 HD22 = -0.223(S), Expected = 0.76, Std = 0.2800, ChiSquare = 4.4690e-04 1.L69 HD23 = -0.223(S), Expected = 0.76, Std = 0.2800, ChiSquare = 4.4690e-04