Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S6 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G7 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.Q8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.39 K 0.37 E 0.12 R 0.09 C Shift Assignments>> CA :: 56.051 CB :: 29.491 CG :: 33.375 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 :: 8.925 HA :: 4.398 HB2 :: 2.175 HB3 :: 2.044 HG2 :: 2.416 HE21 :: 7.498 HE22 :: 6.847 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> NE2 :: 111.848 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.R9 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.N10 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.R11 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.T12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> T 0.99 C Shift Assignments>> CA :: 61.819 CB :: 69.783 CG2 :: 21.708 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>> HA :: 4.352 HB :: 4.256 HG21 :: 1.185 HG22 :: 1.185 HG23 :: 1.185 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) 1.S13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 173.828 CA :: 57.973 CB :: 64.246 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> HA :: 4.465 HB2 :: 3.822 HB3 :: 3.822 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.F14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> C :: 176.750 CA :: 56.624 CB :: 41.174 CD1 :: 131.476 CD2 :: 131.476 CE1 :: 131.551 CE2 :: 131.551 CZ :: 129.210 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 :: 8.322 HA :: 5.035 HB2 :: 3.267 HB3 :: 2.864 HD1 :: 7.186 HD2 :: 7.186 HE1 :: 7.274 HE2 :: 7.274 HZ :: 7.400 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 121.036 Ave N Shift Values>> N :: 120.69(4.18) 1.T15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.433 CA :: 60.644 CB :: 70.784 CG2 :: 21.799 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 :: 8.944 HA :: 4.529 HB :: 4.812 HG21 :: 1.325 HG22 :: 1.325 HG23 :: 1.325 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 113.618 Ave N Shift Values>> N :: 115.7(5.05) 1.Q16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.34 Q 0.31 R 0.17 E 0.08 I 0.04 P 0.03 C Shift Assignments>> C :: 178.149 CA :: 59.283 CB :: 27.943 CG :: 33.384 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 :: 9.086 HA :: 4.016 HB2 :: 2.212 HB3 :: 2.041 HG2 :: 2.458 HG3 :: 2.457 HE21 :: 6.849 HE22 :: 7.833 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 :: 121.415 NE2 :: 112.646 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.E17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.56 E 0.38 K 0.04 C Shift Assignments>> C :: 180.248 CA :: 60.156 CB :: 29.125 CG :: 37.059 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 :: 8.837 HA :: 4.048 HB2 :: 1.947 HB3 :: 2.077 HG2 :: 2.389 HG3 :: 2.328 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 :: 117.930 Ave N Shift Values>> N :: 120.68(3.68) 1.Q18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.24 K 0.23 E 0.23 I 0.2 R 0.06 P 0.01 C Shift Assignments>> C :: 177.079 CA :: 59.358 CB :: 27.338 CG :: 34.874 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 :: 7.738 HA :: 3.809 HB2 :: 2.698 HB3 :: 1.533 HG2 :: 2.399 HG3 :: 2.674 HE21 :: 6.597 HE22 :: 7.547 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 :: 119.421 NE2 :: 110.232 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.I19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 177.409 CA :: 64.693 CB :: 37.544 CG1 :: 29.123 CG2 :: 17.828 CD1 :: 12.741 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 :: 8.265 HA :: 3.240 HB :: 1.908 HG12 :: 1.656 HG13 :: 1.160 HG21 :: 1.003 HG22 :: 1.003 HG23 :: 1.003 HD11 :: 0.811 HD12 :: 0.811 HD13 :: 0.811 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 118.326 Ave N Shift Values>> N :: 121.6(4.72) 1.E20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.48 I 0.42 K 0.07 Q 0.01 HN Overlap>> 1.V34 1.V34 C Shift Assignments>> C :: 179.281 CA :: 59.674 CB :: 29.369 CG :: 36.739 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 :: 8.304 HA :: 3.916 HB2 :: 1.980 HB3 :: 2.064 HG2 :: 2.244 HG3 :: 2.487 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 :: 117.948 Ave N Shift Values>> N :: 120.68(3.68) 1.A21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.89 I 0.03 V 0.02 L 0.02 C Shift Assignments>> C :: 180.825 CA :: 54.885 CB :: 19.190 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.335 HA :: 4.095 HB1 :: 1.469 HB2 :: 1.469 HB3 :: 1.469 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.460 Ave N Shift Values>> N :: 123.23(3.7) 1.L22 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> L 0.87 V 0.11 A 0.01 C Shift Assignments>> C :: 177.861 CA :: 58.530 CB :: 37.691 CG :: 25.973 CD1 :: 23.520 CD2 :: 23.694 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.100 HA :: 3.490 HB2 :: 0.570 HB3 :: -1.225(A) HG :: 1.099 HD11 :: -0.667(S) HD12 :: -0.667(S) HD13 :: -0.667(S) HD21 :: 0.453 HD22 :: 0.453 HD23 :: 0.453 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 :: 122.412 Ave N Shift Values>> N :: 121.98(4.07) 1.E23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 K 0.24 Q 0.2 I 0.14 R 0.02 C Shift Assignments>> C :: 180.413 CA :: 59.072 CB :: 28.905 CG :: 35.158 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 :: 8.534 HA :: 4.360 HB2 :: 2.059 HB3 :: 2.101 HG2 :: 2.520 HG3 :: 2.421 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 :: 118.309 Ave N Shift Values>> N :: 120.68(3.68) 1.K24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.61 R 0.36 G 0.01 HN Overlap>> 1.R69 1.R69 C Shift Assignments>> C :: 179.672 CA :: 59.144 CB :: 32.082 CG :: 25.262 CD :: 28.924 CE :: 42.197 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 :: 7.898 HA :: 4.170 HB2 :: 1.936 HB3 :: 1.999 HG2 :: 1.548 HG3 :: 1.626 HD2 :: 1.724 HD3 :: 1.726 HE2 :: 2.995 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 :: 119.449 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.33 K 0.27 Q 0.25 I 0.1 R 0.03 C Shift Assignments>> C :: 177.923 CA :: 58.799 CB :: 28.787 CG :: 34.913 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 :: 7.887 HA :: 4.596 HB2 :: 2.379 HB3 :: 2.250 HG2 :: 2.368 HG3 :: 2.498 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 :: 121.941 Ave N Shift Values>> N :: 120.68(3.68) 1.F26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.98 Y 0.01 C Shift Assignments>> C :: 176.380 CA :: 60.798 CB :: 38.969 CD1 :: 132.104 CD2 :: 132.104 CE1 :: 130.244 CE2 :: 130.244 CZ :: 127.485 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 :: 8.843 HA :: 4.865 HB2 :: 3.353 HB3 :: 3.169 HD1 :: 7.230 HD2 :: 7.230 HE1 :: 6.725 HE2 :: 6.725 HZ :: 5.891 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 121.919 Ave N Shift Values>> N :: 120.69(4.18) 1.E27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.59 I 0.3 K 0.08 Q 0.01 C Shift Assignments>> C :: 178.335 CA :: 58.650 CB :: 29.772 CG :: 36.839 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 :: 7.839 HA :: 3.952 HB2 :: 2.257 HB3 :: 2.169 HG2 :: 2.625 HG3 :: 2.368 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 :: 115.144 Ave N Shift Values>> N :: 120.68(3.68) 1.R28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.65 K 0.24 G 0.1 C Shift Assignments>> C :: 177.059 CA :: 58.740 CB :: 30.995 CG :: 27.933 CD :: 43.303 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 :: 7.573 HA :: 4.109 HB2 :: 2.293 HB3 :: 1.909 HG2 :: 1.462 HG3 :: 1.718 HD2 :: 3.128 HD3 :: 3.405 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 :: 120.497 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.T29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.94 A 0.03 S 0.02 C Shift Assignments>> C :: 170.391 CA :: 59.674 CB :: 68.880 CG2 :: 18.735 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 :: 8.786 HA :: 4.291 HB :: 4.173 HG21 :: 0.933 HG22 :: 0.933 HG23 :: 0.933 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 :: 114.915 Ave N Shift Values>> N :: 115.7(5.05) 1.H30 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> H 0.77 W 0.22 C Shift Assignments>> C :: 174.569 CA :: 54.798 CB :: 30.629 CD2 :: 117.619 CE1 :: 135.112 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 :: 8.292 HA :: 4.420 HB2 :: 2.645 HB3 :: 2.391 HD2 :: 5.870 HE1 :: 5.654(S) Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 122.126 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.Y31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 HN Overlap>> 1.S56 1.S56 C Shift Assignments>> C :: 172.551 CA :: 55.259 CB :: 39.362 CD1 :: 133.664 CD2 :: 133.664 CE1 :: 118.130 CE2 :: 118.130 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 :: 8.179 HA :: 4.731 HB2 :: 3.010 HB3 :: 2.546 HD1 :: 7.065 HD2 :: 7.065 HE1 :: 6.828 HE2 :: 6.828 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 :: 115.063 Ave N Shift Values>> N :: 120.79(4.69) 1.P32 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.388 CA :: 62.903 CB :: 30.896 CG :: 26.004 CD :: 50.576 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 :: 4.256 HB2 :: 1.832 HB3 :: 1.564 HG2 :: 0.323(S) HG3 :: 1.096 HD2 :: 2.943 HD3 :: 3.055 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.D33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.37 L 0.19 N 0.19 K 0.08 F 0.06 Y 0.05 R 0.02 HN Overlap>> 1.R58 1.R58 C Shift Assignments>> C :: 175.824 CA :: 52.776 CB :: 41.174 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 :: 8.457 HA :: 4.495 HB2 :: 3.280 HB3 :: 2.864 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 :: 124.636 Ave N Shift Values>> N :: 120.73(4.2) 1.V34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.E20 1.E20 C Shift Assignments>> C :: 176.133 CA :: 66.176 CB :: 31.401 CG1 :: 19.202 CG2 :: 21.762 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 :: 8.331 HA :: 3.488 HB :: 1.881 HG11 :: 0.482 HG12 :: 0.482 HG13 :: 0.482 HG21 :: 0.839 HG22 :: 0.839 HG23 :: 0.839 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 :: 117.908 Ave N Shift Values>> N :: 121.02(4.96) 1.F35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> C :: 178.808 CA :: 60.335 CB :: 37.927 CD1 :: 131.766 CD2 :: 131.766 CE1 :: 131.680 CE2 :: 131.680 CZ :: 130.028 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 :: 7.127 HA :: 4.339 HB2 :: 3.137 HB3 :: 3.242 HD1 :: 7.361 HD2 :: 7.361 HE1 :: 7.391 HE2 :: 7.391 HZ :: 7.306 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 :: 120.263 Ave N Shift Values>> N :: 120.69(4.18) 1.A36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.89 I 0.06 V 0.01 C Shift Assignments>> C :: 181.812 CA :: 55.062 CB :: 18.484 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.428 HA :: 4.094 HB1 :: 1.509 HB2 :: 1.509 HB3 :: 1.509 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.569 Ave N Shift Values>> N :: 123.23(3.7) 1.R37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.45 G 0.44 K 0.1 C Shift Assignments>> C :: 178.232 CA :: 61.034 CB :: 31.263 CG :: 29.273 CD :: 43.854 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 :: 8.695 HA :: 3.920 HB2 :: 2.177 HB3 :: 1.668 HG2 :: 2.033 HG3 :: 0.839 HD2 :: 2.856 HD3 :: 3.279 HE :: 8.762 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 117.907 NE :: 81.194 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.E38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.47 I 0.43 K 0.06 Q 0.01 C Shift Assignments>> C :: 179.940 CA :: 59.765 CB :: 29.456 CG :: 36.766 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 :: 8.531 HA :: 4.051 HB2 :: 2.231 HB3 :: 2.072 HG2 :: 2.558 HG3 :: 2.237 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 :: 119.688 Ave N Shift Values>> N :: 120.68(3.68) 1.R39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.72 G 0.15 K 0.11 HN Overlap>> 1.R72 1.R72 C Shift Assignments>> C :: 179.425 CA :: 59.368 CB :: 30.300 CG :: 27.441 CD :: 43.447 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 :: 8.096 HA :: 4.130 HB2 :: 1.901 HB3 :: 1.868 HG2 :: 1.556 HG3 :: 1.805 HD2 :: 3.227 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 :: 120.527 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.L40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.75 R 0.2 G 0.03 C Shift Assignments>> C :: 177.861 CA :: 57.807 CB :: 42.446 CG :: 26.985 CD1 :: 24.248 CD2 :: 25.792 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 :: 7.933 HA :: 4.121 HB2 :: 1.791 HB3 :: 1.747 HG :: 1.627 HD11 :: 0.954 HD12 :: 0.954 HD13 :: 0.954 HD21 :: 0.940 HD22 :: 0.940 HD23 :: 0.940 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 :: 121.371 Ave N Shift Values>> N :: 121.98(4.07) 1.A41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.7 I 0.16 V 0.07 T 0.02 L 0.02 C Shift Assignments>> C :: 180.372 CA :: 56.060 CB :: 18.892 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.537 HA :: 4.102 HB1 :: 1.638 HB2 :: 1.638 HB3 :: 1.638 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.892 Ave N Shift Values>> N :: 123.23(3.7) 1.A42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.96 I 0.01 C Shift Assignments>> C :: 179.631 CA :: 53.951 CB :: 18.484 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.400 HA :: 4.242 HB1 :: 1.528 HB2 :: 1.528 HB3 :: 1.528 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 116.807 Ave N Shift Values>> N :: 123.23(3.7) 1.K43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.7 R 0.27 G 0.01 C Shift Assignments>> C :: 178.746 CA :: 58.710 CB :: 33.610 CG :: 24.884 CD :: 29.087 CE :: 42.136 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 :: 7.781 HA :: 4.229 HB2 :: 2.028 HB3 :: 2.006 HG2 :: 1.560 HG3 :: 1.450 HD2 :: 1.657 HD3 :: 1.748 HE2 :: 2.965 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 118.433 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.I44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 175.042 CA :: 60.606 CB :: 38.341 CG1 :: 24.354 CG2 :: 17.226 CD1 :: 14.687 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 :: 8.094 HA :: 4.655 HB :: 2.259 HG12 :: 1.530 HG13 :: 1.163 HG21 :: 0.806 HG22 :: 0.806 HG23 :: 0.806 HD11 :: 0.636 HD12 :: 0.636 HD13 :: 0.636 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 :: 108.112 Ave N Shift Values>> N :: 121.6(4.72) 1.D45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.26 D 0.22 Y 0.2 F 0.17 L 0.07 E 0.02 I 0.02 C Shift Assignments>> C :: 173.848 CA :: 55.065 CB :: 39.031 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 :: 7.811 HA :: 4.333 HB2 :: 3.190 HB3 :: 2.399 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 :: 121.798 Ave N Shift Values>> N :: 120.73(4.2) 1.L46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 L 0.19 C Shift Assignments>> C :: 173.536 CA :: 51.364 CB :: 47.443 CG :: 26.758 CD1 :: 25.354 CD2 :: 25.680 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 :: 7.550 HA :: 4.990 HB2 :: 1.356 HB3 :: 1.223 HG :: 1.579 HD11 :: 0.898 HD12 :: 0.898 HD13 :: 0.898 HD21 :: 0.695 HD22 :: 0.695 HD23 :: 0.695 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 :: 118.454 Ave N Shift Values>> N :: 121.98(4.07) 1.P47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 178.417 CA :: 62.268 CB :: 32.600 CG :: 27.928 CD :: 50.803 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 :: 4.548 HB2 :: 2.574 HB3 :: 1.924 HG2 :: 2.134 HG3 :: 2.136 HD2 :: 3.442 HD3 :: 4.001 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.E48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.61 E 0.3 K 0.06 Q 0.01 C Shift Assignments>> C :: 178.273 CA :: 61.083 CB :: 28.815 CG :: 36.355 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 :: 9.253 HA :: 3.799 HB2 :: 2.043 HB3 :: 2.178 HG2 :: 2.363 HG3 :: 2.198 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 :: 126.081 Ave N Shift Values>> N :: 120.68(3.68) 1.A49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.81 I 0.11 V 0.04 L 0.01 T 0.01 C Shift Assignments>> C :: 181.277 CA :: 55.569 CB :: 18.681 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.923 HA :: 4.128 HB1 :: 1.500 HB2 :: 1.500 HB3 :: 1.500 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.313 Ave N Shift Values>> N :: 123.23(3.7) 1.R50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.68 K 0.22 G 0.04 L 0.04 C Shift Assignments>> C :: 179.425 CA :: 57.978 CB :: 29.723 CG :: 27.208 CD :: 42.745 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 :: 7.417 HA :: 4.348 HB2 :: 2.156 HB3 :: 2.084 HG2 :: 1.961 HG3 :: 1.869 HD2 :: 3.241 HD3 :: 3.352 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 :: 114.567 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.I51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 178.088 CA :: 65.848 CB :: 37.785 CG1 :: 29.590 CG2 :: 17.912 CD1 :: 13.520 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 :: 7.785 HA :: 3.816 HB :: 2.387 HG12 :: 1.045 HG13 :: 1.770 HG21 :: 1.088 HG22 :: 1.088 HG23 :: 1.088 HD11 :: 0.883 HD12 :: 0.883 HD13 :: 0.883 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 :: 121.669 Ave N Shift Values>> N :: 121.6(4.72) 1.Q52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.32 Q 0.3 E 0.17 I 0.08 R 0.07 P 0.03 C Shift Assignments>> C :: 179.364 CA :: 60.232 CB :: 28.945 CG :: 33.835 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 :: 8.478 HA :: 4.423 HB2 :: 2.277 HG2 :: 2.553 HG3 :: 2.277 HE21 :: 7.978 HE22 :: 6.752 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 :: 118.943 NE2 :: 112.228 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.V53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 177.800 CA :: 66.633 CB :: 32.241 CG1 :: 21.355 CG2 :: 22.938 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 :: 7.582 HA :: 3.842 HB :: 2.300 HG11 :: 1.104 HG12 :: 1.104 HG13 :: 1.104 HG21 :: 1.242 HG22 :: 1.242 HG23 :: 1.242 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 :: 120.375 Ave N Shift Values>> N :: 121.02(4.96) 1.W54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.99 C Shift Assignments>> C :: 180.084 CA :: 63.229 CB :: 28.726 CD1 :: 127.140 CE3 :: 121.276 CZ2 :: 114.147 CZ3 :: 121.234 CH2 :: 123.849 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 :: 8.390 HA :: 4.050 HB2 :: 3.475 HB3 :: 3.236 HD1 :: 6.542 HE1 :: 9.593 HE3 :: 6.530 HZ2 :: 7.167 HZ3 :: 5.556 HH2 :: 6.371 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 :: 121.414 NE1 :: 128.412 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.F55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> C :: 178.170 CA :: 63.826 CB :: 39.195 CD1 :: 131.930 CD2 :: 131.930 CE1 :: 131.905 CE2 :: 131.905 CZ :: 129.690 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 :: 9.127 HA :: 3.771 HB2 :: 3.431 HB3 :: 3.251 HD1 :: 7.747 HD2 :: 7.747 HE1 :: 7.600 HE2 :: 7.600 HZ :: 7.327 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 :: 118.358 Ave N Shift Values>> N :: 120.69(4.18) 1.S56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.Y31 1.Y31 C Shift Assignments>> C :: 178.376 CA :: 62.578 CB :: 62.412 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.267 HA :: 4.148 HB2 :: 4.172 HB3 :: 4.103 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 :: 115.049 Ave N Shift Values>> N :: 116.3(3.95) 1.N57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.26 N 0.21 F 0.17 E 0.16 D 0.09 I 0.04 L 0.02 K 0.01 C Shift Assignments>> C :: 177.573 CA :: 55.698 CB :: 37.827 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 :: 8.231 HA :: 4.411 HB2 :: 2.702 HB3 :: 2.512 HD21 :: 7.592 HD22 :: 6.991 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 :: 120.846 ND2 :: 113.579 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.R58 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> L 0.51 K 0.46 R 0.01 HN Overlap>> 1.D33 1.D33 C Shift Assignments>> C :: 179.919 CA :: 56.451 CB :: 27.981 CG :: 23.734 CD :: 40.756 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 :: 8.531 HA :: 3.533 HB2 :: 0.667(S) HB3 :: -0.554(A) HG2 :: -0.199(S) HG3 :: -0.668(A) HD2 :: 2.077(S) HD3 :: 2.372(S) HE :: 9.513(S) Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 124.704 NE :: 90.012 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.R59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.66 R 0.23 K 0.1 C Shift Assignments>> C :: 178.520 CA :: 60.970 CB :: 31.601 CG :: 30.906 CD :: 43.702 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 :: 8.496 HA :: 4.072 HB2 :: 1.901 HB3 :: 2.250 HG2 :: 1.313 HG3 :: 2.299 HD2 :: 2.728 HD3 :: 2.913 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 :: 120.108 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.A60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.79 I 0.18 V 0.01 C Shift Assignments>> C :: 180.475 CA :: 55.547 CB :: 17.635 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.487 HA :: 4.197 HB1 :: 1.573 HB2 :: 1.573 HB3 :: 1.573 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.949 Ave N Shift Values>> N :: 123.23(3.7) 1.K61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.67 R 0.3 G 0.01 C Shift Assignments>> C :: 177.656 CA :: 59.590 CB :: 32.903 CG :: 24.902 CD :: 29.898 CE :: 42.097 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 :: 7.733 HA :: 3.927 HB2 :: 1.808 HB3 :: 1.752 HG2 :: 1.418 HG3 :: 1.203 HD2 :: 1.549 HD3 :: 1.410 HE2 :: 2.863 HE3 :: 2.863 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 120.311 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.W62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.97 H 0.02 C Shift Assignments>> C :: 178.088 CA :: 61.043 CB :: 29.113 CD1 :: 127.393 CE3 :: 120.222 CZ2 :: 115.075 CZ3 :: 122.204 CH2 :: 124.777 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 :: 8.235 HA :: 4.475 HB2 :: 3.687 HB3 :: 3.253 HD1 :: 7.503 HE1 :: 10.398 HE3 :: 7.662 HZ2 :: 7.595 HZ3 :: 7.289 HH2 :: 7.344 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 :: 120.161 NE1 :: 130.298 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.R63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.65 G 0.22 K 0.11 C Shift Assignments>> C :: 179.220 CA :: 59.644 CB :: 30.498 CG :: 28.346 CD :: 43.717 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 :: 8.579 HA :: 3.762 HB2 :: 1.937 HB3 :: 2.125 HG2 :: 1.805 HG3 :: 2.142 HD2 :: 3.300 HD3 :: 3.444 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 117.951 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.R64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.71 G 0.16 K 0.11 HN Overlap>> 1.K67 1.K67 C Shift Assignments>> C :: 178.643 CA :: 59.313 CB :: 30.254 CG :: 27.579 CD :: 43.517 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 :: 7.754 HA :: 4.075 HB2 :: 1.941 HB3 :: 1.998 HG2 :: 1.799 HG3 :: 1.603 HD2 :: 3.231 HD3 :: 3.262 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 :: 119.265 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.E65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.52 I 0.37 K 0.08 Q 0.01 C Shift Assignments>> C :: 178.890 CA :: 58.891 CB :: 29.228 CG :: 36.948 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 :: 8.134 HA :: 3.988 HB2 :: 1.980 HB3 :: 2.055 HG2 :: 2.198 HG3 :: 2.473 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 :: 119.336 Ave N Shift Values>> N :: 120.68(3.68) 1.E66 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> E 0.49 K 0.19 I 0.16 Q 0.13 C Shift Assignments>> C :: 178.273 CA :: 58.714 CB :: 29.493 CG :: 35.655 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 :: 8.212 HA :: 3.804 HB2 :: 1.693 HB3 :: 1.471 HG2 :: 1.722 HG3 :: 1.617(S) Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.135 Ave N Shift Values>> N :: 120.68(3.68) 1.K67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.64 R 0.33 G 0.01 HN Overlap>> 1.R64 1.R64 C Shift Assignments>> C :: 178.787 CA :: 58.801 CB :: 32.239 CG :: 25.001 CD :: 29.243 CE :: 42.195 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 :: 7.663 HA :: 4.044 HB2 :: 1.882 HB3 :: 1.845 HG2 :: 1.527 HG3 :: 1.399 HD2 :: 1.682 HD3 :: 1.711 HE2 :: 2.991 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 :: 119.200 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.87 R 0.1 G 0.01 A 0.01 C Shift Assignments>> C :: 179.055 CA :: 56.903 CB :: 41.850 CG :: 27.063 CD1 :: 24.970 CD2 :: 23.239 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 :: 7.631 HA :: 4.155 HB2 :: 1.772 HB3 :: 1.588 HG :: 1.694 HD11 :: 0.899 HD12 :: 0.899 HD13 :: 0.899 HD21 :: 0.866 HD22 :: 0.866 HD23 :: 0.866 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 :: 118.976 Ave N Shift Values>> N :: 121.98(4.07) 1.R69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.7 K 0.14 G 0.14 HN Overlap>> 1.K24 1.K24 C Shift Assignments>> C :: 177.985 CA :: 58.551 CB :: 30.430 CG :: 27.608 CD :: 43.498 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 :: 7.900 HA :: 4.089 HB2 :: 1.827 HB3 :: 1.852 HG2 :: 1.557 HG3 :: 1.557 HD2 :: 3.209 HD3 :: 3.209 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 :: 119.387 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.N70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.36 D 0.22 Y 0.16 F 0.13 L 0.05 E 0.03 I 0.01 C Shift Assignments>> C :: 176.194 CA :: 54.463 CB :: 38.805 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 :: 8.088 HA :: 4.633 HB2 :: 2.873 HB3 :: 2.806 HD21 :: 7.594 HD22 :: 6.945 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 :: 117.289 ND2 :: 112.966 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.Q71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.36 K 0.34 E 0.2 R 0.06 I 0.01 C Shift Assignments>> C :: 176.750 CA :: 57.031 CB :: 29.122 CG :: 34.024 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 :: 8.017 HA :: 4.263 HB2 :: 2.173 HB3 :: 2.123 HG2 :: 2.484 HG3 :: 2.414 HE21 :: 7.512 HE22 :: 6.859 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 :: 119.838 NE2 :: 112.356 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.R72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.69 K 0.15 G 0.13 L 0.01 HN Overlap>> 1.R39 1.R39 C Shift Assignments>> C :: 176.729 CA :: 56.840 CB :: 30.500 CG :: 27.337 CD :: 43.487 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 :: 8.125 HA :: 4.312 HB2 :: 1.847 HB3 :: 1.904 HG2 :: 1.716 HG3 :: 1.642 HD2 :: 3.216 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 :: 120.534 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.R73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.69 K 0.16 G 0.12 L 0.01 C Shift Assignments>> C :: 176.552 CA :: 56.445 CB :: 30.676 CG :: 27.165 CD :: 43.433 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 :: 8.148 HA :: 4.412 HB2 :: 1.808 HB3 :: 1.924 HG2 :: 1.640 HG3 :: 1.676 HD2 :: 3.231 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 :: 121.356 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.Q74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> Q 0.38 K 0.35 E 0.17 R 0.07 C Shift Assignments>> CA :: 56.127 CB :: 29.362 CG :: 33.801 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> HA :: 4.334 HB2 :: 2.002 HB3 :: 2.134 HG2 :: 2.379 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) 1.S75 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.63 L 0.19 R 0.12 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> CA :: 44.736 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> HA2 :: 4.168 HA3 :: 4.168 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) 1.P77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> CA :: 63.330 CB :: 32.217 CG :: 27.165 CD :: 49.823 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 :: 4.502 HB2 :: 2.320 HB3 :: 2.000 HG2 :: 2.045 HG3 :: 2.045 HD2 :: 3.671 HD3 :: 3.646 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.S78 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 173.931 CA :: 58.409 CB :: 64.147 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> HA :: 4.524 HB2 :: 3.901 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.G80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.06 C Shift Assignments>> C :: 179.077 CA :: 46.336 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.060 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 116.856 Ave N Shift Values>> N :: 109.91(4.29) ########################################################################### Overall Results: #Consistent: 75 #Clerical: 0 #Suspicious: 3 #Anomalous: 2 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 68 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 12 Shift Relative Order (SRO) Results: #Consistent: 80 #Suspicious: 0 C Shift Results: #Consistent: 316 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 471 #Duplicate: 0 #Unknown: 0 #Suspicious: 11 #Anomalous: 3 N Shift Results: #Consistent: 70 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.L22 HB3 = -1.225(A), Expected = 1.57, Std = 0.3600, ChiSquare = 8.2364e-15 1.L22 HD11 = -0.667(S), Expected = 0.77, Std = 0.2700, ChiSquare = 1.0251e-07 1.L22 HD12 = -0.667(S), Expected = 0.77, Std = 0.2700, ChiSquare = 1.0251e-07 1.L22 HD13 = -0.667(S), Expected = 0.77, Std = 0.2700, ChiSquare = 1.0251e-07 1.H30 HE1 = 5.654(S), Expected = 8.08, Std = 0.5700, ChiSquare = 2.0799e-05 1.P32 HG2 = 0.323(S), Expected = 1.93, Std = 0.3600, ChiSquare = 8.0485e-06 1.R58 HB2 = 0.667(S), Expected = 1.79, Std = 0.2800, ChiSquare = 6.0535e-05 1.R58 HB3 = -0.554(A), Expected = 1.78, Std = 0.2800, ChiSquare = 7.7032e-17 1.R58 HG2 = -0.199(S), Expected = 1.58, Std = 0.2700, ChiSquare = 4.4313e-11 1.R58 HG3 = -0.668(A), Expected = 1.58, Std = 0.2700, ChiSquare = 8.3672e-17 1.R58 HD2 = 2.077(S), Expected = 3.13, Std = 0.2300, ChiSquare = 4.6886e-06 1.R58 HD3 = 2.372(S), Expected = 3.13, Std = 0.2200, ChiSquare = 5.7010e-04 1.R58 HE = 9.513(S), Expected = 7.32, Std = 0.5200, ChiSquare = 2.4724e-05 1.E66 HG3 = 1.617(S), Expected = 2.31, Std = 0.2100, ChiSquare = 9.6685e-04