Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H6 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H7 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H8 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H9 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H10 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S11 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S12 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G13 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.L14 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.V15 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P16 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.R17 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G18 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S19 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.M20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.62 Q 0.22 K 0.07 E 0.05 R 0.01 C Shift Assignments>> C :: 175.986 CA :: 55.524 CB :: 32.766 CG :: 32.026 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.422 HA :: 4.496 HB2 :: 2.129 HB3 :: 2.010 HG2 :: 2.539 HG3 :: 2.625 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 122.258 Ave N Shift Values>> N :: 120.1(3.88) 1.A21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.78 M 0.2 C Shift Assignments>> CA :: 52.479 CB :: 19.242 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.230 HA :: 4.278 HB1 :: 1.378 HB2 :: 1.378 HB3 :: 1.378 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.031 Ave N Shift Values>> N :: 123.23(3.7) 1.A22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.81 M 0.17 HN Overlap>> 1.A81 1.A81 C Shift Assignments>> C :: 177.258 CA :: 52.127 CB :: 19.418 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.219 HA :: 4.273 HB1 :: 1.370 HB2 :: 1.370 HB3 :: 1.370 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.203 Ave N Shift Values>> N :: 123.23(3.7) 1.A23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.81 M 0.17 C Shift Assignments>> C :: 177.154 CA :: 52.086 CB :: 19.252 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.213 HA :: 4.294 HB1 :: 1.321 HB2 :: 1.321 HB3 :: 1.321 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.720 Ave N Shift Values>> N :: 123.23(3.7) 1.V24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.98 A 0.01 C Shift Assignments>> CA :: 59.225 CB :: 32.364 CG1 :: 21.156 CG2 :: 20.253 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 :: 7.884 HA :: 3.984 HB :: 1.752 HG11 :: 0.845 HG12 :: 0.845 HG13 :: 0.845 HG21 :: 0.863 HG22 :: 0.863 HG23 :: 0.863 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 :: 120.285 Ave N Shift Values>> N :: 121.02(4.96) 1.P25 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 175.315 CA :: 62.433 CB :: 31.675 CG :: 27.264 CD :: 49.732 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 :: 4.257 HB2 :: 1.663 HB3 :: 1.554 HG2 :: 1.359 HG3 :: 1.359 HD2 :: 3.202 HD3 :: 2.222(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.Q26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.35 K 0.25 M 0.21 E 0.13 R 0.03 C Shift Assignments>> C :: 175.786 CA :: 54.709 CB :: 30.040 CG :: 33.793 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 :: 8.214 HA :: 4.209 HB2 :: 1.873 HB3 :: 1.798 HG2 :: 2.286 HG3 :: 2.241 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 :: 118.467 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.R27 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.55 G 0.27 L 0.12 K 0.03 C Shift Assignments>> C :: 175.469 CA :: 55.862 CB :: 28.917 CG :: 27.496 CD :: 44.046 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 :: 8.384 HA :: 3.521 HB2 :: 1.327 HB3 :: 0.587(S) HG2 :: 0.897 HG3 :: 0.870 HD2 :: 2.854 HD3 :: 2.664 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 :: 124.803 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.A28 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.73 M 0.24 C Shift Assignments>> C :: 177.157 CA :: 52.957 CB :: 19.253 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.270 HA :: 3.969 HB1 :: 0.466(S) HB2 :: 0.466(S) HB3 :: 0.466(S) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 128.250 Ave N Shift Values>> N :: 123.23(3.7) 1.W29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.98 H 0.01 C Shift Assignments>> C :: 177.055 CA :: 55.437 CB :: 31.065 CD1 :: 125.581 CE3 :: 121.173 CZ2 :: 115.036 CZ3 :: 119.642 CH2 :: 122.803 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 7.142 HA :: 5.481 HB2 :: 2.742 HB3 :: 2.604 HD1 :: 6.977 HE1 :: 10.136 HE3 :: 6.876 HZ2 :: 7.435 HZ3 :: 6.617 HH2 :: 7.047 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 :: 114.866 NE1 :: 130.023 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.T30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.619 CA :: 60.108 CB :: 71.289 CG2 :: 21.877 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 :: 8.856 HA :: 4.537 HB :: 4.803 HG21 :: 1.345 HG22 :: 1.345 HG23 :: 1.345 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 :: 114.413 Ave N Shift Values>> N :: 115.7(5.05) 1.V31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.L57 1.L57 C Shift Assignments>> C :: 177.067 CA :: 67.324 CB :: 31.187 CG1 :: 21.473 CG2 :: 22.997 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 :: 8.922 HA :: 3.656 HB :: 2.127 HG11 :: 1.013 HG12 :: 1.013 HG13 :: 1.013 HG21 :: 1.164 HG22 :: 1.164 HG23 :: 1.164 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 :: 120.599 Ave N Shift Values>> N :: 121.02(4.96) 1.E32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.57 E 0.35 K 0.05 C Shift Assignments>> C :: 179.759 CA :: 60.261 CB :: 28.903 CG :: 36.944 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 :: 8.403 HA :: 3.891 HB2 :: 2.024 HB3 :: 1.889 HG2 :: 2.353 HG3 :: 2.253 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 :: 118.262 Ave N Shift Values>> N :: 120.68(3.68) 1.Q33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.34 K 0.25 Q 0.22 I 0.12 M 0.02 R 0.02 C Shift Assignments>> C :: 179.087 CA :: 58.872 CB :: 28.790 CG :: 35.037 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 :: 7.631 HA :: 3.903 HB2 :: 2.401 HB3 :: 1.824 HG2 :: 2.417 HG3 :: 2.417 HE21 :: 6.926 HE22 :: 7.578 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 :: 118.691 NE2 :: 108.810 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.L34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.61 R 0.26 G 0.11 C Shift Assignments>> C :: 178.191 CA :: 57.602 CB :: 43.231 CG :: 26.473 CD1 :: 26.944 CD2 :: 23.888 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 :: 8.164 HA :: 3.543 HB2 :: 1.982 HB3 :: 1.052 HG :: 1.490 HD11 :: 0.594 HD12 :: 0.594 HD13 :: 0.594 HD21 :: 0.052 HD22 :: 0.052 HD23 :: 0.052 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 :: 118.294 Ave N Shift Values>> N :: 121.98(4.07) 1.R35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.62 K 0.24 G 0.13 C Shift Assignments>> C :: 176.116 CA :: 57.577 CB :: 30.578 CG :: 28.848 CD :: 43.457 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 :: 7.670 HA :: 3.781 HB2 :: 1.919 HB3 :: 1.678 HG2 :: 1.476 HG3 :: 1.476 HD2 :: 3.109 HD3 :: 3.109 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 :: 113.450 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.S36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.474 CA :: 58.260 CB :: 64.157 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.285 HA :: 4.290 HB2 :: 3.977 HB3 :: 4.069 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 :: 115.777 Ave N Shift Values>> N :: 116.3(3.95) 1.E37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.53 K 0.17 I 0.17 Q 0.07 M 0.04 C Shift Assignments>> C :: 177.571 CA :: 57.698 CB :: 29.148 CG :: 36.265 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 :: 8.953 HA :: 4.164 HB2 :: 2.083 HB3 :: 1.983 HG2 :: 2.363 HG3 :: 2.320 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 :: 124.369 Ave N Shift Values>> N :: 120.68(3.68) 1.Q38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.34 K 0.31 E 0.21 R 0.06 M 0.03 I 0.02 C Shift Assignments>> C :: 174.991 CA :: 56.998 CB :: 28.529 CG :: 34.358 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 :: 8.058 HA :: 4.048 HB2 :: 2.123 HB3 :: 1.934 HG2 :: 2.387 HG3 :: 2.368 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 115.901 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.L39 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.79 A 0.09 G 0.09 C Shift Assignments>> CA :: 51.008 CB :: 42.464 CG :: 26.573 CD1 :: 23.062 CD2 :: 24.065 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 :: 7.159 HA :: 4.789 HB2 :: 1.580 HB3 :: 0.892 HG :: 0.865 HD11 :: 0.273 HD12 :: 0.273 HD13 :: 0.273 HD21 :: -0.466(S) HD22 :: -0.466(S) HD23 :: -0.466(S) Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 123.248 Ave N Shift Values>> N :: 121.98(4.07) 1.P40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.902 CA :: 62.331 CB :: 32.785 CG :: 27.742 CD :: 51.336 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 :: 4.493 HB2 :: 2.468 HB3 :: 1.927 HG2 :: 1.990 HG3 :: 1.990 HD2 :: 3.741 HD3 :: 4.060 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.K41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.49 K 0.47 G 0.02 M 0.01 C Shift Assignments>> C :: 179.156 CA :: 61.074 CB :: 32.507 CG :: 26.470 CD :: 29.827 CE :: 42.028 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 :: 8.811 HA :: 3.588 HB2 :: 2.025 HB3 :: 1.509 HG2 :: 1.804 HG3 :: 1.201 HD2 :: 1.911 HD3 :: 1.911 HE2 :: 3.074 HE3 :: 3.143 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 121.490 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.59 R 0.34 M 0.03 G 0.02 C Shift Assignments>> C :: 176.946 CA :: 60.080 CB :: 31.585 CG :: 24.755 CD :: 29.378 CE :: 42.324 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 :: 8.902 HA :: 3.842 HB2 :: 1.898 HB3 :: 1.841 HG2 :: 1.580 HG3 :: 1.347 HD2 :: 1.742 HD3 :: 1.742 HE2 :: 2.986 HE3 :: 2.986 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 :: 115.513 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.D43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.31 Y 0.3 D 0.1 L 0.09 I 0.09 K 0.05 N 0.02 E 0.01 C Shift Assignments>> C :: 179.303 CA :: 57.555 CB :: 39.925 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 :: 7.260 HA :: 4.549 HB2 :: 2.697 HB3 :: 2.697 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.534 Ave N Shift Values>> N :: 120.73(4.2) 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 :: 178.162 CA :: 65.129 CB :: 38.709 CG1 :: 26.840 CG2 :: 18.049 CD1 :: 14.764 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 :: 7.227 HA :: 3.999 HB :: 1.861 HG12 :: 1.311 HG13 :: 0.161 HG21 :: 0.994 HG22 :: 0.994 HG23 :: 0.994 HD11 :: 0.587 HD12 :: 0.587 HD13 :: 0.587 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 :: 120.720 Ave N Shift Values>> N :: 121.6(4.72) 1.I45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 177.076 CA :: 66.541 CB :: 38.091 CG1 :: 30.951 CG2 :: 18.822 CD1 :: 14.099 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 :: 8.417 HA :: 3.583 HB :: 1.784 HG12 :: 0.815 HG13 :: 0.815 HG21 :: 0.951 HG22 :: 0.951 HG23 :: 0.951 HD11 :: 0.807 HD12 :: 0.807 HD13 :: 0.807 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 :: 118.850 Ave N Shift Values>> N :: 121.6(4.72) 1.K46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.64 R 0.29 M 0.03 G 0.02 C Shift Assignments>> C :: 178.082 CA :: 60.303 CB :: 32.810 CG :: 24.931 CD :: 29.938 CE :: 42.182 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 :: 8.547 HA :: 4.069 HB2 :: 2.044 HB3 :: 2.098 HG2 :: 1.555 HG3 :: 1.635 HD2 :: 1.832 HD3 :: 1.832 HE2 :: 3.073 HE3 :: 3.073 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 :: 119.855 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.F47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> C :: 178.375 CA :: 62.495 CB :: 39.617 CD1 :: 131.756 CD2 :: 131.756 CE1 :: 131.818 CE2 :: 131.818 CZ :: 129.329 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 :: 7.685 HA :: 4.549 HB2 :: 3.790 HB3 :: 3.728 HD1 :: 7.450 HD2 :: 7.450 HE1 :: 7.126 HE2 :: 7.126 HZ :: 7.034 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 117.977 Ave N Shift Values>> N :: 120.69(4.18) 1.L48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.44 R 0.41 K 0.12 G 0.01 C Shift Assignments>> C :: 178.759 CA :: 58.708 CB :: 41.773 CG :: 27.131 CD1 :: 27.841 CD2 :: 24.432 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 :: 8.723 HA :: 3.986 HB2 :: 2.304 HB3 :: 1.445 HG :: 2.564 HD11 :: 1.111 HD12 :: 1.111 HD13 :: 1.111 HD21 :: 1.237 HD22 :: 1.237 HD23 :: 1.237 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 :: 119.665 Ave N Shift Values>> N :: 121.98(4.07) 1.Q49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.27 E 0.26 Q 0.25 I 0.13 R 0.04 M 0.01 C Shift Assignments>> C :: 178.043 CA :: 59.052 CB :: 28.046 CG :: 34.805 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 :: 9.123 HA :: 4.255 HB2 :: 2.063 HB3 :: 2.255 HG2 :: 2.914 HG3 :: 2.316 HE21 :: 7.085 HE22 :: 7.931 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 116.634 NE2 :: 108.790 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.E50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.56 I 0.15 K 0.13 M 0.08 Q 0.05 C Shift Assignments>> C :: 177.588 CA :: 57.877 CB :: 29.876 CG :: 36.332 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 :: 7.968 HA :: 4.029 HB2 :: 1.940 HB3 :: 1.521 HG2 :: 2.208 HG3 :: 1.810 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 :: 116.777 Ave N Shift Values>> N :: 120.68(3.68) 1.H51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.5 W 0.48 C Shift Assignments>> C :: 175.289 CA :: 57.454 CB :: 31.245 CD2 :: 119.336 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 7.344 HA :: 4.697 HB2 :: 3.009 HB3 :: 2.121 HD2 :: 7.243 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 :: 112.045 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.G52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.57 L 0.21 R 0.15 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 172.112 CA :: 44.624 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.768 HA2 :: 4.216 HA3 :: 3.380 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.849 Ave N Shift Values>> N :: 109.91(4.29) 1.S53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.000 CA :: 57.823 CB :: 64.299 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.364 HA :: 4.290 HB2 :: 4.305 HB3 :: 3.706 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 118.006 Ave N Shift Values>> N :: 116.3(3.95) 1.D54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.34 Y 0.32 I 0.14 L 0.06 D 0.05 K 0.03 E 0.01 N 0.01 C Shift Assignments>> C :: 179.016 CA :: 58.341 CB :: 39.832 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 9.114 HA :: 4.410 HB2 :: 2.717 HB3 :: 2.717 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 122.130 Ave N Shift Values>> N :: 120.73(4.2) 1.S55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.781 CA :: 60.967 CB :: 61.848 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.537 HA :: 4.224 HB2 :: 3.955 HB3 :: 3.892 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 114.490 Ave N Shift Values>> N :: 116.3(3.95) 1.F56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.53 Y 0.46 C Shift Assignments>> C :: 177.617 CA :: 62.117 CB :: 39.211 CD1 :: 131.734 CD2 :: 131.734 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 :: 7.869 HA :: 4.075 HB2 :: 3.523 HB3 :: 3.007 HD1 :: 7.052 HD2 :: 7.052 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 :: 126.827 Ave N Shift Values>> N :: 120.69(4.18) 1.L57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.69 K 0.25 A 0.01 G 0.01 HN Overlap>> 1.V31 1.V31 C Shift Assignments>> C :: 179.846 CA :: 57.874 CB :: 41.812 CG :: 27.298 CD2 :: 22.283 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 :: 8.883 HA :: 3.743 HB2 :: 2.072 HB3 :: 1.094 HG :: 1.090 HD21 :: 0.933 HD22 :: 0.933 HD23 :: 0.933 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.673 Ave N Shift Values>> N :: 121.98(4.07) 1.A58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.58 A 0.36 I 0.04 C Shift Assignments>> C :: 181.928 CA :: 55.216 CB :: 18.154 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.586 HA :: 4.083 HB1 :: 1.537 HB2 :: 1.537 HB3 :: 1.537 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.291 Ave N Shift Values>> N :: 123.23(3.7) 1.E59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.49 I 0.19 K 0.15 Q 0.09 M 0.05 HN Overlap>> 1.H77 1.H77 C Shift Assignments>> C :: 177.692 CA :: 58.939 CB :: 29.526 CG :: 35.877 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 :: 8.006 HA :: 3.876 HB2 :: 2.074 HB3 :: 1.840 HG2 :: 2.280 HG3 :: 1.861 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 :: 119.967 Ave N Shift Values>> N :: 120.68(3.68) 1.H60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.16 W 0.16 H 0.15 R 0.15 Q 0.14 K 0.1 M 0.07 I 0.02 V 0.01 C Shift Assignments>> C :: 172.858 CA :: 57.040 CB :: 30.125 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 7.103 HA :: 4.455 HB2 :: 3.204 HB3 :: 2.204 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 :: 113.629 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.K61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.62 K 0.24 L 0.1 G 0.02 C Shift Assignments>> C :: 176.812 CA :: 57.528 CB :: 28.313 CG :: 25.136 CD :: 29.006 CE :: 42.217 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 :: 7.828 HA :: 4.084 HB2 :: 2.073 HB3 :: 1.927 HG2 :: 1.342 HG3 :: 1.686 HD2 :: 1.722 HD3 :: 1.639 HE2 :: 2.981 HE3 :: 2.981 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 117.116 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.47 L 0.25 R 0.22 A 0.04 C Shift Assignments>> C :: 175.348 CA :: 53.250 CB :: 44.157 CG :: 25.753 CD1 :: 28.215 CD2 :: 23.562 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 :: 8.351 HA :: 4.610 HB2 :: 1.821 HB3 :: 1.524 HG :: 1.720 HD11 :: 0.782 HD12 :: 0.782 HD13 :: 0.782 HD21 :: 0.741 HD22 :: 0.741 HD23 :: 0.741 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 115.836 Ave N Shift Values>> N :: 121.98(4.07) 1.L63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.81 R 0.1 G 0.07 C Shift Assignments>> C :: 176.840 CA :: 54.627 CB :: 42.947 CG :: 26.847 CD1 :: 25.237 CD2 :: 24.443 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 :: 7.423 HA :: 4.358 HB2 :: 1.620 HB3 :: 1.476 HG :: 1.357 HD11 :: 0.933 HD12 :: 0.933 HD13 :: 0.933 HD21 :: 0.912 HD22 :: 0.912 HD23 :: 0.912 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 :: 118.920 Ave N Shift Values>> N :: 121.98(4.07) 1.G64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.38 L 0.3 G 0.13 D 0.04 F 0.04 K 0.03 Y 0.02 C Shift Assignments>> C :: 172.866 CA :: 43.600 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.318 HA2 :: 4.285 HA3 :: 3.709 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.728 Ave N Shift Values>> N :: 109.91(4.29) 1.N65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.38 D 0.27 Y 0.12 F 0.11 L 0.07 E 0.01 C Shift Assignments>> C :: 177.499 CA :: 53.952 CB :: 39.228 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 :: 8.512 HA :: 4.614 HB2 :: 2.941 HB3 :: 2.820 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 :: 118.391 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.I66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 176.269 CA :: 66.129 CB :: 37.801 CG1 :: 29.544 CG2 :: 17.225 CD1 :: 13.879 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 :: 8.925 HA :: 3.601 HB :: 1.949 HG12 :: 1.731 HG13 :: 1.103 HG21 :: 0.997 HG22 :: 0.997 HG23 :: 0.997 HD11 :: 1.005 HD12 :: 1.005 HD13 :: 1.005 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 :: 126.957 Ave N Shift Values>> N :: 121.6(4.72) 1.K67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.64 R 0.3 M 0.02 G 0.01 C Shift Assignments>> C :: 178.871 CA :: 59.508 CB :: 32.124 CG :: 25.285 CD :: 29.395 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 :: 8.203 HA :: 4.011 HB2 :: 1.872 HB3 :: 1.800 HG2 :: 1.548 HG3 :: 1.394 HD2 :: 1.777 HD3 :: 1.777 HE2 :: 3.043 HE3 :: 3.043 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 :: 118.984 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.N68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.25 N 0.22 F 0.19 D 0.13 E 0.08 L 0.04 I 0.04 M 0.01 C Shift Assignments>> C :: 178.083 CA :: 55.588 CB :: 38.370 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.655 HA :: 4.586 HB2 :: 2.928 HB3 :: 2.928 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 :: 117.201 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.V69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 178.131 CA :: 65.583 CB :: 32.012 CG1 :: 22.593 CG2 :: 21.903 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 :: 8.370 HA :: 3.737 HB :: 1.928 HG11 :: 0.953 HG12 :: 0.953 HG13 :: 0.953 HG21 :: 0.718 HG22 :: 0.718 HG23 :: 0.718 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 121.529 Ave N Shift Values>> N :: 121.02(4.96) 1.A70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.53 A 0.42 I 0.03 C Shift Assignments>> C :: 177.821 CA :: 54.942 CB :: 18.279 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.532 HA :: 3.843 HB1 :: 1.417 HB2 :: 1.417 HB3 :: 1.417 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.473 Ave N Shift Values>> N :: 123.23(3.7) 1.K71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.61 R 0.32 M 0.04 G 0.01 C Shift Assignments>> C :: 178.462 CA :: 58.549 CB :: 32.925 CG :: 25.056 CD :: 29.536 CE :: 42.249 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 :: 7.231 HA :: 4.199 HB2 :: 2.025 HB3 :: 2.025 HG2 :: 1.536 HG3 :: 1.709 HD2 :: 1.764 HD3 :: 1.764 HE2 :: 3.047 HE3 :: 3.047 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 :: 113.983 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.T72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.270 CA :: 61.985 CB :: 69.611 CG2 :: 21.758 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 :: 7.441 HA :: 4.369 HB :: 4.399 HG21 :: 1.219 HG22 :: 1.219 HG23 :: 1.219 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 :: 107.225 Ave N Shift Values>> N :: 115.7(5.05) 1.A73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.85 M 0.13 L 0.01 C Shift Assignments>> C :: 175.839 CA :: 51.384 CB :: 19.864 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.852 HA :: 4.703 HB1 :: 1.335 HB2 :: 1.335 HB3 :: 1.335 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.801 Ave N Shift Values>> N :: 123.23(3.7) 1.N74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.53 D 0.3 L 0.06 F 0.04 Y 0.04 C Shift Assignments>> CA :: 51.097 CB :: 39.784 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 :: 8.493 HA :: 4.895 HB2 :: 3.201 HB3 :: 2.900 HD21 :: 6.933 HD22 :: 7.657 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 :: 119.294 ND2 :: 112.918 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.K75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> K 0.63 R 0.33 G 0.01 C Shift Assignments>> C :: 177.876 CA :: 60.131 CB :: 32.183 CG :: 25.904 CD :: 28.595 CE :: 41.947 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>> HA :: 3.909 HB2 :: 2.065 HB3 :: 1.701 HG2 :: 1.420 HG3 :: 1.630 HD2 :: 1.585 HD3 :: 1.585 HE2 :: 2.931 HE3 :: 2.764 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) 1.D76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.33 Y 0.3 I 0.12 L 0.08 D 0.06 K 0.06 N 0.01 C Shift Assignments>> C :: 178.884 CA :: 58.175 CB :: 40.082 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 :: 8.378 HA :: 4.342 HB2 :: 2.701 HB3 :: 2.701 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 :: 118.660 Ave N Shift Values>> N :: 120.73(4.2) 1.H77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.79 W 0.18 Y 0.01 HN Overlap>> 1.E59 1.E59 C Shift Assignments>> C :: 178.487 CA :: 59.144 CB :: 31.718 CD2 :: 116.766 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 :: 8.069 HA :: 4.488 HB2 :: 3.379 HB3 :: 3.338 HD2 :: 6.880 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 :: 120.004 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.L78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.9 R 0.07 C Shift Assignments>> C :: 178.251 CA :: 57.484 CB :: 41.279 CG :: 26.162 CD1 :: 26.509 CD2 :: 23.238 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 :: 7.921 HA :: 4.015 HB2 :: 2.066 HB3 :: 2.066 HG :: 2.022 HD11 :: 0.839 HD12 :: 0.839 HD13 :: 0.839 HD21 :: 0.749 HD22 :: 0.749 HD23 :: 0.749 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 :: 118.355 Ave N Shift Values>> N :: 121.98(4.07) 1.V79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 177.672 CA :: 67.211 CB :: 31.807 CG1 :: 22.008 CG2 :: 23.348 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 :: 8.762 HA :: 3.568 HB :: 2.313 HG11 :: 0.982 HG12 :: 0.982 HG13 :: 0.982 HG21 :: 0.998 HG22 :: 0.998 HG23 :: 0.998 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 121.024 Ave N Shift Values>> N :: 121.02(4.96) 1.T80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 176.648 CA :: 66.685 CB :: 68.378 CG2 :: 21.997 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 :: 7.871 HA :: 3.967 HB :: 4.297 HG21 :: 1.166 HG22 :: 1.166 HG23 :: 1.166 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 115.751 Ave N Shift Values>> N :: 115.7(5.05) 1.A81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.6 A 0.32 I 0.04 V 0.01 HN Overlap>> 1.A22 1.A22 C Shift Assignments>> C :: 178.122 CA :: 55.562 CB :: 18.462 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.259 HA :: 3.558 HB1 :: 1.174 HB2 :: 1.174 HB3 :: 1.174 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.175 Ave N Shift Values>> N :: 123.23(3.7) 1.Y82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 HN Overlap>> 1.H84 1.H84 C Shift Assignments>> C :: 176.833 CA :: 62.678 CB :: 39.338 CD1 :: 133.180 CD2 :: 133.180 CE1 :: 119.488 CE2 :: 119.488 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 :: 8.848 HA :: 4.212 HB2 :: 3.381 HB3 :: 3.084 HD1 :: 7.172 HD2 :: 7.172 HE1 :: 6.676 HE2 :: 6.676 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 :: 120.000 Ave N Shift Values>> N :: 120.79(4.69) 1.N83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.26 E 0.25 F 0.15 N 0.12 I 0.06 M 0.05 D 0.04 K 0.02 L 0.01 C Shift Assignments>> C :: 178.839 CA :: 56.247 CB :: 37.416 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 :: 8.661 HA :: 4.651 HB2 :: 3.094 HB3 :: 3.023 HD21 :: 6.014 HD22 :: 7.795 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 116.093 ND2 :: 110.259 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.H84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.18 E 0.16 R 0.16 H 0.12 Q 0.09 K 0.08 M 0.08 V 0.05 I 0.04 HN Overlap>> 1.Y82 1.Y82 C Shift Assignments>> C :: 178.642 CA :: 58.623 CB :: 30.787 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 :: 8.922 HA :: 4.632 HB2 :: 3.579 HB3 :: 3.472 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 :: 120.065 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.L85 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.97 A 0.02 C Shift Assignments>> C :: 177.190 CA :: 58.501 CB :: 39.341 CG :: 25.626 CD1 :: 25.786 CD2 :: 22.247 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 :: 8.617 HA :: 2.990 HB2 :: 1.653 HB3 :: 0.925 HG :: 0.246(S) HD11 :: 0.321 HD12 :: 0.321 HD13 :: 0.321 HD21 :: -0.591(S) HD22 :: -0.591(S) HD23 :: -0.591(S) Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 123.894 Ave N Shift Values>> N :: 121.98(4.07) 1.F86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> C :: 177.882 CA :: 62.514 CB :: 39.511 CD1 :: 131.570 CD2 :: 131.570 CE1 :: 131.725 CE2 :: 131.725 CZ :: 128.350 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 :: 6.994 HA :: 3.952 HB2 :: 3.280 HB3 :: 2.767 HD1 :: 7.323 HD2 :: 7.323 HE1 :: 6.766 HE2 :: 6.766 HZ :: 6.975 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 :: 113.121 Ave N Shift Values>> N :: 120.69(4.18) 1.E87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.55 I 0.18 M 0.11 K 0.08 Q 0.05 C Shift Assignments>> C :: 178.563 CA :: 59.120 CB :: 30.489 CG :: 36.091 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 :: 8.419 HA :: 4.200 HB2 :: 2.148 HB3 :: 2.256 HG2 :: 2.454 HG3 :: 2.310 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 :: 119.755 Ave N Shift Values>> N :: 120.68(3.68) 1.T88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.030 CA :: 62.422 CB :: 70.812 CG2 :: 21.554 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 :: 7.925 HA :: 4.206 HB :: 4.064 HG21 :: 1.140 HG22 :: 1.140 HG23 :: 1.140 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 :: 106.136 Ave N Shift Values>> N :: 115.7(5.05) 1.K89 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.66 K 0.24 L 0.04 G 0.03 M 0.01 C Shift Assignments>> C :: 176.913 CA :: 56.788 CB :: 28.624 CG :: 25.130 CD :: 29.502 CE :: 42.543 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 :: 7.723 HA :: 3.035 HB2 :: 2.002 HB3 :: 1.732 HG2 :: 1.360 HG3 :: 1.360 HD2 :: 1.857 HD3 :: 1.776 HE2 :: 3.128 HE3 :: 3.128 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 :: 117.845 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) SRO Rule Breaks>> (HA > HE2 : 0.9935) (HA > HE3 : 0.9935) 1.R90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.34 R 0.33 L 0.27 K 0.04 C Shift Assignments>> C :: 174.488 CA :: 55.547 CB :: 28.525 CG :: 26.382 CD :: 44.376 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 :: 6.332 HA :: 4.336 HB2 :: 2.129 HB3 :: 2.129 HG2 :: 1.548 HG3 :: 1.483 HD2 :: 3.319 HD3 :: 3.125 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 :: 122.103 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.F91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.65 Y 0.34 C Shift Assignments>> C :: 176.575 CA :: 56.312 CB :: 40.511 CD1 :: 131.071 CD2 :: 131.071 CE1 :: 130.952 CE2 :: 130.952 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 :: 7.137 HA :: 4.953 HB2 :: 3.497 HB3 :: 2.627 HD1 :: 7.052 HD2 :: 7.052 HE1 :: 6.658 HE2 :: 6.658 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 :: 118.562 Ave N Shift Values>> N :: 120.69(4.18) 1.K92 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 7.846 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 :: 126.474 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) ########################################################################### Overall Results: #Consistent: 86 #Clerical: 0 #Suspicious: 6 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 72 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 20 Shift Relative Order (SRO) Results: #Consistent: 91 #Suspicious: 1 C Shift Results: #Consistent: 325 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 506 #Duplicate: 0 #Unknown: 0 #Suspicious: 12 #Anomalous: 0 N Shift Results: #Consistent: 75 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.P25 HD3 = 2.222(S), Expected = 3.63, Std = 0.4000, ChiSquare = 4.3155e-04 1.R27 HB3 = 0.587(S), Expected = 1.78, Std = 0.2800, ChiSquare = 2.0377e-05 1.A28 HB1 = 0.466(S), Expected = 1.38, Std = 0.2500, ChiSquare = 2.5618e-04 1.A28 HB2 = 0.466(S), Expected = 1.38, Std = 0.2500, ChiSquare = 2.5618e-04 1.A28 HB3 = 0.466(S), Expected = 1.38, Std = 0.2500, ChiSquare = 2.5618e-04 1.L39 HD21 = -0.466(S), Expected = 0.76, Std = 0.2800, ChiSquare = 1.1946e-05 1.L39 HD22 = -0.466(S), Expected = 0.76, Std = 0.2800, ChiSquare = 1.1946e-05 1.L39 HD23 = -0.466(S), Expected = 0.76, Std = 0.2800, ChiSquare = 1.1946e-05 1.L85 HG = 0.246(S), Expected = 1.54, Std = 0.3300, ChiSquare = 8.8105e-05 1.L85 HD21 = -0.591(S), Expected = 0.76, Std = 0.2800, ChiSquare = 1.4000e-06 1.L85 HD22 = -0.591(S), Expected = 0.76, Std = 0.2800, ChiSquare = 1.4000e-06 1.L85 HD23 = -0.591(S), Expected = 0.76, Std = 0.2800, ChiSquare = 1.4000e-06 1.K89 SRO Rule Break>> HA > HE2 : 0.99351606248158 1.K89 SRO Rule Break>> HA > HE3 : 0.993548387096774