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>> CA :: 58.331 CB :: 64.000 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 6.800 HA :: 4.517 HB2 :: 3.824 HB3 :: 3.841 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>> G 0.72 L 0.15 R 0.08 F 0.01 C Shift Assignments>> C :: 173.185 CA :: 44.957 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.319 HA2 :: 4.242 HA3 :: 3.939 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.830 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>> R 0.58 G 0.34 K 0.07 C Shift Assignments>> C :: 174.125 CA :: 53.122 CB :: 31.645 CG :: 26.584 CD :: 43.816 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 :: 8.454 HA :: 4.982 HB2 :: 1.858 HB3 :: 1.795 HG2 :: 1.750 HG3 :: 1.750 HD2 :: 3.208 HD3 :: 3.208 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 :: 121.264 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.P9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 175.993 CA :: 62.618 CB :: 32.314 CG :: 27.484 CD :: 50.825 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 :: 4.501 HB2 :: 1.941 HB3 :: 1.729 HG2 :: 2.088 HG3 :: 2.088 HD2 :: 3.869 HD3 :: 3.984 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.A10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.63 K 0.12 A 0.12 P 0.06 R 0.02 C Shift Assignments>> C :: 173.546 CA :: 50.942 CB :: 23.675 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.897 HA :: 4.741 HB1 :: 1.110 HB2 :: 1.110 HB3 :: 1.110 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.157 Ave N Shift Values>> N :: 123.23(3.7) 1.R11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.45 R 0.31 K 0.22 C Shift Assignments>> C :: 176.292 CA :: 53.263 CB :: 34.413 CG :: 27.049 CD :: 43.494 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 :: 8.838 HA :: 5.386 HB2 :: 1.668 HB3 :: 1.433 HG2 :: 1.330 HG3 :: 1.330 HD2 :: 3.137 HD3 :: 3.110 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 :: 119.089 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.A12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.99 C Shift Assignments>> C :: 178.147 CA :: 52.212 CB :: 18.719 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.101 HA :: 4.610 HB1 :: 1.369 HB2 :: 1.369 HB3 :: 1.369 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 127.831 Ave N Shift Values>> N :: 123.23(3.7) 1.K13 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.77 R 0.22 C Shift Assignments>> C :: 174.300 CA :: 57.391 CB :: 33.693 CG :: 24.851 CD :: 29.222 CE :: 41.502 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 :: 9.343 HA :: 3.819 HB2 :: 0.927(S) HB3 :: 0.774(S) HG2 :: 0.924 HG3 :: 0.924 HD2 :: 1.394 HD3 :: 1.331 HE2 :: 2.683 HE3 :: 2.662 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 126.987 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.F14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.68 G 0.31 C Shift Assignments>> C :: 173.498 CA :: 53.451 CB :: 43.299 CD1 :: 132.389 CD2 :: 132.389 CE1 :: 130.705 CE2 :: 130.705 CZ :: 129.422 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.109 HA :: 4.811 HB2 :: 3.324 HB3 :: 2.471 HD1 :: 6.804 HD2 :: 6.804 HE1 :: 7.112 HE2 :: 7.112 HZ :: 7.160 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 :: 111.866 Ave N Shift Values>> N :: 120.69(4.18) 1.D15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.27 L 0.22 K 0.16 F 0.1 Y 0.09 N 0.08 R 0.04 HN Overlap>> 1.S67 1.S67 C Shift Assignments>> C :: 175.873 CA :: 54.787 CB :: 41.194 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 :: 8.370 HA :: 4.590 HB2 :: 2.707 HB3 :: 2.624 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 :: 117.493 Ave N Shift Values>> N :: 120.73(4.2) 1.F16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.96 G 0.03 HN Overlap>> 1.I34 1.I34 C Shift Assignments>> C :: 173.846 CA :: 56.406 CB :: 42.244 CD1 :: 132.350 CD2 :: 132.350 CE1 :: 131.471 CE2 :: 131.471 CZ :: 129.974 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 9.288 HA :: 5.072 HB2 :: 3.052 HB3 :: 2.825 HD1 :: 7.334 HD2 :: 7.334 HE1 :: 7.450 HE2 :: 7.450 HZ :: 7.607 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 123.054 Ave N Shift Values>> N :: 120.69(4.18) 1.K17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.61 R 0.35 G 0.01 C Shift Assignments>> C :: 174.075 CA :: 54.502 CB :: 31.809 CG :: 24.604 CD :: 28.988 CE :: 42.172 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.175 HA :: 4.190 HB2 :: 1.575 HB3 :: 1.575 HG2 :: 1.362 HG3 :: 1.213 HD2 :: 1.626 HD3 :: 1.626 HE2 :: 2.971 HE3 :: 2.971 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 :: 129.223 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.A18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.93 L 0.05 C Shift Assignments>> C :: 178.145 CA :: 51.767 CB :: 20.605 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.333 HA :: 3.952 HB1 :: 1.201 HB2 :: 1.201 HB3 :: 1.201 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.823 Ave N Shift Values>> N :: 123.23(3.7) 1.Q19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.4 E 0.37 K 0.19 I 0.01 R 0.01 C Shift Assignments>> C :: 176.035 CA :: 56.356 CB :: 31.057 CG :: 34.410 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 9.441 HA :: 4.391 HB2 :: 2.245 HB3 :: 2.178 HG2 :: 2.318 HG3 :: 2.472 HE21 :: 7.619 HE22 :: 6.843 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 :: 121.567 NE2 :: 112.591 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.T20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.351 CA :: 59.559 CB :: 72.004 CG2 :: 21.112 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 :: 7.544 HA :: 4.723 HB :: 4.474 HG21 :: 1.172 HG22 :: 1.172 HG23 :: 1.172 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 :: 109.256 Ave N Shift Values>> N :: 115.7(5.05) 1.L21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.86 R 0.1 G 0.01 C Shift Assignments>> C :: 177.945 CA :: 57.038 CB :: 41.982 CG :: 27.113 CD1 :: 24.884 CD2 :: 23.373 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 :: 8.428 HA :: 4.270 HB2 :: 1.750 HB3 :: 1.663 HG :: 1.766 HD11 :: 0.967 HD12 :: 0.967 HD13 :: 0.967 HD21 :: 0.930 HD22 :: 0.930 HD23 :: 0.930 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 :: 119.481 Ave N Shift Values>> N :: 121.98(4.07) 1.K22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.69 R 0.29 G 0.01 C Shift Assignments>> C :: 177.254 CA :: 56.856 CB :: 33.124 CG :: 24.993 CD :: 28.864 CE :: 41.992 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.757 HA :: 4.299 HB2 :: 1.779 HB3 :: 1.727 HG2 :: 1.425 HG3 :: 1.425 HD2 :: 1.601 HD3 :: 1.601 HE2 :: 2.899 HE3 :: 2.899 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 115.739 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.91 I 0.06 K 0.01 C Shift Assignments>> C :: 174.278 CA :: 55.575 CB :: 32.410 CG :: 37.332 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 :: 7.300 HA :: 4.771 HB2 :: 2.302 HB3 :: 2.244 HG2 :: 2.348 HG3 :: 2.162 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 :: 119.558 Ave N Shift Values>> N :: 120.68(3.68) 1.L24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.11 C Shift Assignments>> C :: 172.405 CA :: 50.759 CB :: 45.235 CG :: 26.259 CD1 :: 24.794 CD2 :: 25.993 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 :: 9.209 HA :: 4.896 HB2 :: 2.048 HB3 :: 1.052 HG :: 1.548 HD11 :: 0.926 HD12 :: 0.926 HD13 :: 0.926 HD21 :: 0.780 HD22 :: 0.780 HD23 :: 0.780 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 :: 126.486 Ave N Shift Values>> N :: 121.98(4.07) 1.P25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 176.821 CA :: 62.615 CB :: 32.086 CG :: 27.483 CD :: 50.167 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 :: 4.521 HB2 :: 2.345 HB3 :: 1.995 HG2 :: 2.160 HG3 :: 2.064 HD2 :: 3.765 HD3 :: 4.006 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.L26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.55 L 0.32 A 0.12 C Shift Assignments>> C :: 176.525 CA :: 53.554 CB :: 46.853 CG :: 25.663 CD1 :: 25.360 CD2 :: 23.243 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 :: 8.603 HA :: 4.705 HB2 :: 1.782 HB3 :: 1.078 HG :: 1.889 HD11 :: 0.386 HD12 :: 0.386 HD13 :: 0.386 HD21 :: 0.282 HD22 :: 0.282 HD23 :: 0.282 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 :: 118.661 Ave N Shift Values>> N :: 121.98(4.07) 1.Q27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.42 Q 0.4 K 0.15 C Shift Assignments>> C :: 174.916 CA :: 53.459 CB :: 31.219 CG :: 34.868 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 :: 8.978 HA :: 4.828 HB2 :: 1.959 HB3 :: 1.917 HG2 :: 2.361 HG3 :: 2.293 HE21 :: 7.682 HE22 :: 6.783 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 123.348 NE2 :: 112.246 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.K28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.71 R 0.26 G 0.01 C Shift Assignments>> C :: 177.151 CA :: 58.815 CB :: 32.374 CG :: 24.239 CD :: 29.610 CE :: 41.984 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 :: 8.936 HA :: 3.178 HB2 :: 1.632 HB3 :: 1.515 HG2 :: 1.149 HG3 :: 1.097 HD2 :: 1.655 HD3 :: 1.695 HE2 :: 2.977 HE3 :: 2.977 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 :: 122.847 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.G29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.63 L 0.18 R 0.12 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 174.353 CA :: 44.737 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.923 HA2 :: 4.477 HA3 :: 3.365 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 115.478 Ave N Shift Values>> N :: 109.91(4.29) 1.D30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.23 K 0.22 D 0.19 F 0.12 Y 0.09 R 0.08 N 0.03 C Shift Assignments>> C :: 175.136 CA :: 55.674 CB :: 41.583 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 :: 8.525 HA :: 4.413 HB2 :: 2.425 HB3 :: 1.791 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 :: 123.018 Ave N Shift Values>> N :: 120.73(4.2) 1.I31 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 :: 175.630 CA :: 58.649 CB :: 36.590 CG1 :: 26.977 CG2 :: 16.401 CD1 :: 10.674 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 :: 8.335 HA :: 4.901 HB :: 1.953 HG12 :: 1.545 HG13 :: 1.410 HG21 :: 0.661 HG22 :: 0.661 HG23 :: 0.661 HD11 :: 0.748 HD12 :: 0.748 HD13 :: 0.748 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 120.975 Ave N Shift Values>> N :: 121.6(4.72) 1.V32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.91 A 0.07 C Shift Assignments>> C :: 172.649 CA :: 57.965 CB :: 34.507 CG1 :: 20.727 CG2 :: 20.660 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 :: 8.752 HA :: 4.744 HB :: 1.505 HG11 :: 0.243 HG12 :: 0.243 HG13 :: 0.243 HG21 :: 0.246 HG22 :: 0.246 HG23 :: 0.246 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 :: 124.445 Ave N Shift Values>> N :: 121.02(4.96) 1.Y33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 175.861 CA :: 57.012 CB :: 40.098 CD1 :: 132.691 CD2 :: 132.691 CE1 :: 117.768 CE2 :: 117.768 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.425 HA :: 4.755 HB2 :: 2.841 HB3 :: 2.716 HD1 :: 6.952 HD2 :: 6.952 HE1 :: 6.782 HE2 :: 6.782 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 120.630 Ave N Shift Values>> N :: 120.79(4.69) 1.I34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.F16 1.F16 C Shift Assignments>> C :: 176.892 CA :: 62.568 CB :: 39.633 CG1 :: 28.391 CG2 :: 18.058 CD1 :: 13.751 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.249 HA :: 3.902 HB :: 1.743 HG12 :: 1.395 HG13 :: 0.662 HG21 :: 0.586 HG22 :: 0.586 HG23 :: 0.586 HD11 :: 0.159 HD12 :: 0.159 HD13 :: 0.159 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 :: 122.985 Ave N Shift Values>> N :: 121.6(4.72) 1.Y35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 176.284 CA :: 56.527 CB :: 38.678 CD1 :: 130.959 CD2 :: 130.959 CE1 :: 118.408 CE2 :: 118.408 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 :: 9.692 HA :: 5.122 HB2 :: 3.256 HB3 :: 3.026 HD1 :: 7.062 HD2 :: 7.062 HE1 :: 6.802 HE2 :: 6.802 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 :: 127.444 Ave N Shift Values>> N :: 120.79(4.69) 1.K36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.74 R 0.22 G 0.02 A 0.01 C Shift Assignments>> C :: 174.153 CA :: 55.557 CB :: 35.481 CG :: 23.960 CD :: 29.421 CE :: 42.009 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 :: 8.029 HA :: 4.753 HB2 :: 2.069 HB3 :: 1.795 HG2 :: 1.382 HG3 :: 1.186 HD2 :: 1.653 HD3 :: 1.653 HE2 :: 2.906 HE3 :: 2.906 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 114.589 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Q37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.38 K 0.35 E 0.18 R 0.07 I 0.01 C Shift Assignments>> C :: 175.395 CA :: 56.098 CB :: 29.104 CG :: 33.964 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 9.092 HA :: 4.722 HB2 :: 2.112 HB3 :: 2.046 HG2 :: 2.286 HG3 :: 2.093 HE21 :: 6.742 HE22 :: 7.130 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 123.031 NE2 :: 110.325 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.I38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 175.546 CA :: 62.067 CB :: 38.216 CG1 :: 27.365 CG2 :: 17.243 CD1 :: 11.950 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 :: 8.401 HA :: 4.008 HB :: 1.783 HG12 :: 1.315 HG13 :: 1.137 HG21 :: 0.842 HG22 :: 0.842 HG23 :: 0.842 HD11 :: 0.737 HD12 :: 0.737 HD13 :: 0.737 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 :: 126.793 Ave N Shift Values>> N :: 121.6(4.72) 1.D39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.35 N 0.31 L 0.12 F 0.08 Y 0.08 K 0.03 C Shift Assignments>> C :: 175.782 CA :: 53.403 CB :: 40.097 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 :: 8.018 HA :: 4.490 HB2 :: 3.154 HB3 :: 3.111 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 118.627 Ave N Shift Values>> N :: 120.73(4.2) 1.Q40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.36 Q 0.35 E 0.13 R 0.12 I 0.02 C Shift Assignments>> C :: 175.873 CA :: 58.356 CB :: 28.614 CG :: 33.561 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 :: 8.516 HA :: 3.952 HB2 :: 2.029 HB3 :: 2.029 HG2 :: 2.361 HG3 :: 2.361 HE21 :: 7.530 HE22 :: 6.875 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 :: 113.827 NE2 :: 112.373 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.N41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 L 0.26 K 0.15 R 0.08 N 0.07 F 0.06 Y 0.05 C Shift Assignments>> C :: 175.691 CA :: 53.846 CB :: 41.844 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.860 HA :: 4.811 HB2 :: 2.674 HB3 :: 2.343 HD21 :: 7.856 HD22 :: 6.960 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 :: 114.694 ND2 :: 115.492 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.W42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.71 H 0.28 C Shift Assignments>> C :: 175.212 CA :: 57.340 CB :: 32.560 CD1 :: 129.716 CE3 :: 119.998 CZ2 :: 114.434 CZ3 :: 120.305 CH2 :: 124.552 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 8.071 HA :: 4.879 HB2 :: 2.868 HB3 :: 2.819 HD1 :: 7.953 HE1 :: 10.198 HE3 :: 7.137 HZ2 :: 7.484 HZ3 :: 6.745 HH2 :: 7.332 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 :: 121.550 NE1 :: 129.346 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.Y43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.89 G 0.1 C Shift Assignments>> C :: 173.820 CA :: 56.347 CB :: 42.812 CD1 :: 132.512 CD2 :: 132.512 CE1 :: 118.026 CE2 :: 118.026 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.778 HA :: 5.159 HB2 :: 2.626 HB3 :: 1.819 HD1 :: 6.918 HD2 :: 6.918 HE1 :: 6.808 HE2 :: 6.808 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 120.202 Ave N Shift Values>> N :: 120.79(4.69) 1.E44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.94 I 0.04 C Shift Assignments>> C :: 176.285 CA :: 54.612 CB :: 34.053 CG :: 37.762 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 :: 8.792 HA :: 5.016 HB2 :: 2.063 HB3 :: 1.887 HG2 :: 2.072 HG3 :: 2.072 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 :: 117.907 Ave N Shift Values>> N :: 120.68(3.68) 1.G45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.05 C Shift Assignments>> C :: 169.070 CA :: 46.878 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.183 HA2 :: 4.412 HA3 :: 3.936 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 115.583 Ave N Shift Values>> N :: 109.91(4.29) 1.E46 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> E 0.9 Q 0.08 I 0.01 C Shift Assignments>> C :: 175.188 CA :: 54.292 CB :: 34.952 CG :: 35.995 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 :: 8.776 HA :: 5.704(S) HB2 :: 2.008 HB3 :: 1.832 HG2 :: 2.271 HG3 :: 2.098 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 :: 118.985 Ave N Shift Values>> N :: 120.68(3.68) 1.H47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.51 H 0.47 C Shift Assignments>> C :: 174.654 CA :: 56.476 CB :: 33.223 CD2 :: 120.585 CE1 :: 137.259 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 :: 8.866 HA :: 4.893 HB2 :: 3.107 HB3 :: 2.936 HD2 :: 7.293 HE1 :: 7.763 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 :: 121.548 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.H48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.64 W 0.35 C Shift Assignments>> C :: 175.182 CA :: 55.861 CB :: 28.141 CD2 :: 118.273 CE1 :: 136.996 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 :: 9.515 HA :: 4.240 HB2 :: 2.784 HB3 :: 3.269 HD2 :: 6.774 HE1 :: 8.134 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 :: 126.628 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.G49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.08 R 0.02 C Shift Assignments>> C :: 173.451 CA :: 45.644 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.236 HA2 :: 4.187 HA3 :: 3.673 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.687 Ave N Shift Values>> N :: 109.91(4.29) 1.R50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.6 G 0.27 K 0.12 C Shift Assignments>> C :: 173.716 CA :: 54.971 CB :: 32.183 CG :: 27.353 CD :: 43.946 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 :: 7.899 HA :: 4.675 HB2 :: 1.984 HB3 :: 1.837 HG2 :: 1.594 HG3 :: 1.824 HD2 :: 3.350 HD3 :: 3.206 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 122.910 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.V51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 177.374 CA :: 60.244 CB :: 34.058 CG1 :: 21.835 CG2 :: 21.083 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 :: 8.432 HA :: 5.254 HB :: 1.978 HG11 :: 1.021 HG12 :: 1.021 HG13 :: 1.021 HG21 :: 1.004 HG22 :: 1.004 HG23 :: 1.004 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 123.451 Ave N Shift Values>> N :: 121.02(4.96) 1.G52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.89 L 0.07 R 0.01 C Shift Assignments>> C :: 171.397 CA :: 45.909 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.039 HA2 :: 4.481 HA3 :: 4.099 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 114.340 Ave N Shift Values>> N :: 109.91(4.29) 1.I53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.98 C Shift Assignments>> C :: 176.173 CA :: 59.520 CB :: 41.086 CG1 :: 25.958 CG2 :: 17.549 CD1 :: 12.598 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 :: 8.494 HA :: 5.970 HB :: 1.905 HG12 :: 1.317 HG13 :: 0.800 HG21 :: 0.808 HG22 :: 0.808 HG23 :: 0.808 HD11 :: -0.008 HD12 :: -0.008 HD13 :: -0.008 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 :: 112.762 Ave N Shift Values>> N :: 121.6(4.72) 1.F54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.97 Y 0.02 C Shift Assignments>> C :: 171.860 CA :: 54.446 CB :: 37.512 CD1 :: 133.491 CD2 :: 133.491 CE1 :: 129.997 CE2 :: 129.997 CZ :: 127.981 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 :: 8.446 HA :: 5.030 HB2 :: 2.406 HB3 :: 3.505 HD1 :: 6.907 HD2 :: 6.907 HE1 :: 6.789 HE2 :: 6.789 HZ :: 6.677 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 :: 116.317 Ave N Shift Values>> N :: 120.69(4.18) 1.P55 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 178.290 CA :: 61.774 CB :: 31.618 CG :: 27.666 CD :: 50.037 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 :: 3.975 HB2 :: 1.363 HB3 :: 1.496 HG2 :: 0.689(S) HG3 :: 0.546(S) HD2 :: 2.077(S) HD3 :: 2.125(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.R56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.67 K 0.17 G 0.12 L 0.02 C Shift Assignments>> C :: 178.263 CA :: 58.695 CB :: 30.270 CG :: 26.247 CD :: 43.369 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 :: 7.934 HA :: 4.001 HB2 :: 1.499 HB3 :: 1.231 HG2 :: 1.227 HG3 :: 0.983 HD2 :: 2.880 HD3 :: 2.943 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 122.144 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.T57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.423 CA :: 63.114 CB :: 69.159 CG2 :: 22.347 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 :: 7.943 HA :: 4.237 HB :: 4.462 HG21 :: 1.269 HG22 :: 1.269 HG23 :: 1.269 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 :: 105.470 Ave N Shift Values>> N :: 115.7(5.05) 1.Y58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 174.964 CA :: 58.847 CB :: 38.102 CD1 :: 132.393 CD2 :: 132.393 CE1 :: 118.525 CE2 :: 118.525 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 7.674 HA :: 4.607 HB2 :: 3.304 HB3 :: 3.013 HD1 :: 7.168 HD2 :: 7.168 HE1 :: 7.052 HE2 :: 7.052 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 119.055 Ave N Shift Values>> N :: 120.79(4.69) 1.I59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.44 A 0.38 G 0.17 C Shift Assignments>> C :: 174.301 CA :: 57.442 CB :: 42.356 CG1 :: 26.818 CG2 :: 20.476 CD1 :: 13.442 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.437 HA :: 5.176 HB :: 1.838 HG12 :: 1.620 HG13 :: 1.339 HG21 :: 0.621 HG22 :: 0.621 HG23 :: 0.621 HD11 :: 0.649 HD12 :: 0.649 HD13 :: 0.649 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 :: 113.392 Ave N Shift Values>> N :: 121.6(4.72) 1.E60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.74 Q 0.2 K 0.03 C Shift Assignments>> C :: 175.330 CA :: 53.823 CB :: 32.638 CG :: 35.568 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 :: 8.823 HA :: 4.707 HB2 :: 1.919 HB3 :: 1.784 HG2 :: 2.143 HG3 :: 2.143 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.796 Ave N Shift Values>> N :: 120.68(3.68) 1.L61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.85 R 0.11 A 0.02 C Shift Assignments>> C :: 177.514 CA :: 55.852 CB :: 41.613 CG :: 27.356 CD1 :: 25.248 CD2 :: 23.307 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 :: 8.812 HA :: 4.153 HB2 :: 1.713 HB3 :: 1.498 HG :: 1.652 HD11 :: 0.901 HD12 :: 0.901 HD13 :: 0.901 HD21 :: 0.699 HD22 :: 0.699 HD23 :: 0.699 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 :: 126.496 Ave N Shift Values>> N :: 121.98(4.07) 1.L62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.77 R 0.13 A 0.07 G 0.01 C Shift Assignments>> C :: 177.307 CA :: 54.719 CB :: 42.086 CG :: 27.329 CD1 :: 25.438 CD2 :: 22.703 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 :: 7.951 HA :: 4.490 HB2 :: 1.594 HB3 :: 1.468 HG :: 1.500 HD11 :: 0.778 HD12 :: 0.778 HD13 :: 0.778 HD21 :: 0.778 HD22 :: 0.778 HD23 :: 0.778 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 :: 122.358 Ave N Shift Values>> N :: 121.98(4.07) 1.S63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.276 CA :: 58.329 CB :: 63.992 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 :: 4.517 HB2 :: 3.825 HB3 :: 3.825 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 :: 115.901 Ave N Shift Values>> N :: 116.3(3.95) 1.G64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.6 L 0.2 R 0.14 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 173.182 CA :: 44.676 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.225 HA2 :: 4.168 HA3 :: 4.131 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.327 Ave N Shift Values>> N :: 109.91(4.29) 1.P65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> CA :: 63.335 CB :: 32.218 CG :: 27.179 CD :: 49.752 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 :: 4.488 HB2 :: 2.323 HB3 :: 2.004 HG2 :: 2.050 HG3 :: 2.050 HD2 :: 3.649 HD3 :: 3.649 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.S66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 174.502 CA :: 58.362 CB :: 63.836 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.296 HA :: 4.419 HB2 :: 3.680 HB3 :: 3.680 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.S67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.D15 1.D15 C Shift Assignments>> C :: 173.873 CA :: 58.401 CB :: 64.050 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.277 HA :: 4.498 HB2 :: 3.911 HB3 :: 3.911 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 :: 117.539 Ave N Shift Values>> N :: 116.3(3.95) 1.G68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.91 L 0.06 C Shift Assignments>> C :: 178.952 CA :: 46.278 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.044 HA2 :: 3.818 HA3 :: 3.763 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 116.795 Ave N Shift Values>> N :: 109.91(4.29) ########################################################################### Overall Results: #Consistent: 65 #Clerical: 0 #Suspicious: 3 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 63 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 5 Shift Relative Order (SRO) Results: #Consistent: 68 #Suspicious: 0 C Shift Results: #Consistent: 295 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 450 #Duplicate: 0 #Unknown: 0 #Suspicious: 7 #Anomalous: 0 N Shift Results: #Consistent: 63 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.K13 HB2 = 0.927(S), Expected = 1.79, Std = 0.2500, ChiSquare = 5.5645e-04 1.K13 HB3 = 0.774(S), Expected = 1.78, Std = 0.2600, ChiSquare = 1.0918e-04 1.E46 HA = 5.704(S), Expected = 4.26, Std = 0.4300, ChiSquare = 7.8469e-04 1.P55 HG2 = 0.689(S), Expected = 1.93, Std = 0.3600, ChiSquare = 5.6638e-04 1.P55 HG3 = 0.546(S), Expected = 1.92, Std = 0.3700, ChiSquare = 2.0440e-04 1.P55 HD2 = 2.077(S), Expected = 3.64, Std = 0.3600, ChiSquare = 1.4141e-05 1.P55 HD3 = 2.125(S), Expected = 3.63, Std = 0.4000, ChiSquare = 1.6822e-04