Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> K 0.26 M 0.23 Q 0.19 R 0.08 P 0.08 E 0.07 I 0.06 C Shift Assignments>> C :: 171.828 CA :: 61.903 CB :: 32.555 CG :: 30.578 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>> HA :: 4.155 HB2 :: 2.146 HB3 :: 2.146 HG2 :: 2.566 HG3 :: 2.566 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) 1.D2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 N 0.18 L 0.16 F 0.11 Y 0.1 K 0.07 R 0.01 C Shift Assignments>> C :: 175.771 CA :: 54.244 CB :: 40.452 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 :: 8.809 HA :: 4.673 HB2 :: 2.710 HB3 :: 2.710 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 123.485 Ave N Shift Values>> N :: 120.73(4.2) 1.E3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.32 K 0.28 E 0.25 M 0.07 R 0.03 I 0.01 C Shift Assignments>> C :: 176.546 CA :: 56.162 CB :: 29.170 CG :: 34.618 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 :: 8.684 HA :: 4.392 HB2 :: 1.940 HB3 :: 2.132 HG2 :: 2.350 HG3 :: 2.350 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 :: 121.725 Ave N Shift Values>> N :: 120.68(3.68) 1.T4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.306 CA :: 62.347 CB :: 69.672 CG2 :: 21.284 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 :: 8.303 HA :: 4.278 HB :: 4.214 HG21 :: 1.199 HG22 :: 1.199 HG23 :: 1.199 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 :: 114.384 Ave N Shift Values>> N :: 115.7(5.05) 1.G5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.84 L 0.09 R 0.03 C Shift Assignments>> C :: 173.689 CA :: 45.302 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.422 HA2 :: 3.928 HA3 :: 3.928 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.296 Ave N Shift Values>> N :: 109.91(4.29) 1.K6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.7 R 0.22 M 0.05 C Shift Assignments>> C :: 175.948 CA :: 55.401 CB :: 33.225 CG :: 24.283 CD :: 28.762 CE :: 41.786 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 :: 8.008 HA :: 4.381 HB2 :: 1.768 HB3 :: 1.768 HG2 :: 1.286 HG3 :: 1.286 HD2 :: 1.606 HD3 :: 1.606 HE2 :: 2.931 HE3 :: 2.931 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 :: 119.850 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.32 M 0.23 E 0.21 K 0.2 R 0.01 HN Overlap>> 1.N38 1.D29 1.N38 1.D29 C Shift Assignments>> C :: 174.109 CA :: 55.690 CB :: 30.382 CG :: 34.221 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 :: 8.577 HA :: 4.495 HB2 :: 1.995 HB3 :: 1.995 HG2 :: 2.343 HG3 :: 2.343 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 :: 122.488 Ave N Shift Values>> N :: 120.68(3.68) 1.L8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.55 L 0.37 A 0.06 C Shift Assignments>> C :: 177.344 CA :: 53.331 CB :: 45.077 CG :: 26.575 CD1 :: 25.093 CD2 :: 22.836 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 :: 8.485 HA :: 5.381 HB2 :: 1.710 HB3 :: 1.635 HG :: 1.339 HD11 :: 0.835 HD12 :: 0.835 HD13 :: 0.835 HD21 :: 0.760 HD22 :: 0.760 HD23 :: 0.760 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 :: 123.063 Ave N Shift Values>> N :: 121.98(4.07) 1.V9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.57 A 0.25 I 0.16 C Shift Assignments>> C :: 172.404 CA :: 57.854 CB :: 35.864 CG1 :: 23.331 CG2 :: 20.257 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.111 HA :: 5.214 HB :: 1.995 HG11 :: 1.026 HG12 :: 1.026 HG13 :: 1.026 HG21 :: 1.026 HG22 :: 1.026 HG23 :: 1.026 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 :: 111.683 Ave N Shift Values>> N :: 121.02(4.96) 1.L10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.64 L 0.28 A 0.07 C Shift Assignments>> C :: 176.568 CA :: 52.445 CB :: 46.711 CG :: 26.819 CD1 :: 26.040 CD2 :: 23.620 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 :: 8.971 HA :: 5.100 HB2 :: 1.691 HB3 :: 1.373 HG :: 1.240 HD11 :: 0.842 HD12 :: 0.842 HD13 :: 0.842 HD21 :: 0.842 HD22 :: 0.842 HD23 :: 0.842 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 :: 123.366 Ave N Shift Values>> N :: 121.98(4.07) 1.A11 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>> C :: 178.252 CA :: 52.416 CB :: 19.051 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.160 HA :: 4.610 HB1 :: 1.662 HB2 :: 1.662 HB3 :: 1.662 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 127.241 Ave N Shift Values>> N :: 123.23(3.7) 1.L12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.66 A 0.16 G 0.11 R 0.06 C Shift Assignments>> C :: 174.951 CA :: 55.585 CB :: 43.192 CG :: 26.222 CD1 :: 24.954 CD2 :: 21.495 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.257 HA :: 3.884 HB2 :: 1.180 HB3 :: 1.180 HG :: 1.367 HD11 :: 0.689 HD12 :: 0.689 HD13 :: 0.689 HD21 :: 0.623 HD22 :: 0.623 HD23 :: 0.623 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 127.842 Ave N Shift Values>> N :: 121.98(4.07) 1.Y13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.75 G 0.24 C Shift Assignments>> C :: 173.600 CA :: 54.530 CB :: 42.982 CD1 :: 133.721 CD2 :: 133.691 CE1 :: 117.223 CE2 :: 117.223 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 7.129 HA :: 4.617 HB2 :: 3.071 HB3 :: 2.102 HD1 :: 6.660 HD2 :: 6.660 HE1 :: 6.605 HE2 :: 6.605 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 :: 111.673 Ave N Shift Values>> N :: 120.79(4.69) 1.D14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 L 0.23 K 0.16 F 0.09 N 0.08 Y 0.07 R 0.05 C Shift Assignments>> C :: 176.125 CA :: 54.527 CB :: 41.351 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 :: 8.328 HA :: 4.615 HB2 :: 2.824 HB3 :: 2.588 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 117.888 Ave N Shift Values>> N :: 120.73(4.2) 1.Y15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.73 G 0.26 C Shift Assignments>> C :: 172.803 CA :: 59.669 CB :: 43.400 CD1 :: 133.229 CD2 :: 133.229 CE1 :: 118.046 CE2 :: 118.046 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 :: 8.733 HA :: 4.662 HB2 :: 3.018 HB3 :: 2.847 HD1 :: 7.309 HD2 :: 7.309 HE1 :: 7.002 HE2 :: 7.002 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 :: 120.102 Ave N Shift Values>> N :: 120.79(4.69) 1.Q16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.38 K 0.33 M 0.13 E 0.07 R 0.07 C Shift Assignments>> C :: 173.910 CA :: 53.820 CB :: 29.378 CG :: 33.489 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 :: 7.546 HA :: 4.500 HB2 :: 1.790 HB3 :: 1.790 HG2 :: 2.272 HG3 :: 2.272 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 :: 126.945 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>> Q 0.34 K 0.29 E 0.18 M 0.11 R 0.04 C Shift Assignments>> C :: 175.926 CA :: 56.078 CB :: 29.520 CG :: 33.983 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 :: 7.930 HA :: 4.211 HB2 :: 2.207 HB3 :: 1.795 HG2 :: 2.303 HG3 :: 2.303 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 :: 123.035 Ave N Shift Values>> N :: 120.68(3.68) 1.K18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.66 R 0.25 M 0.05 G 0.01 C Shift Assignments>> C :: 176.192 CA :: 55.164 CB :: 33.328 CG :: 24.247 CD :: 28.816 CE :: 42.215 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 :: 8.801 HA :: 4.424 HB2 :: 2.010 HB3 :: 2.010 HG2 :: 1.494 HG3 :: 1.494 HD2 :: 1.655 HD3 :: 1.655 HE2 :: 3.089 HE3 :: 3.089 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 :: 120.770 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.S19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 56.678 CB :: 64.060 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.619 HA :: 4.863 HB2 :: 4.085 HB3 :: 3.731 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 :: 114.841 Ave N Shift Values>> N :: 116.3(3.95) 1.P20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 176.679 CA :: 64.803 CB :: 31.894 CG :: 27.351 CD :: 51.147 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 :: 4.549 HB2 :: 2.472 HB3 :: 2.472 HG2 :: 2.062 HG3 :: 1.967 HD2 :: 3.888 HD3 :: 3.761 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.R21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.71 K 0.13 G 0.12 L 0.02 C Shift Assignments>> C :: 176.369 CA :: 56.119 CB :: 30.299 CG :: 26.998 CD :: 43.367 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 :: 7.687 HA :: 4.598 HB2 :: 1.905 HB3 :: 1.653 HG2 :: 1.356 HG3 :: 1.356 HD2 :: 2.977 HD3 :: 2.854 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 :: 113.864 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.E22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.58 E 0.39 Q 0.01 I 0.01 C Shift Assignments>> C :: 174.375 CA :: 54.951 CB :: 33.535 CG :: 36.594 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 :: 7.842 HA :: 5.484 HB2 :: 2.362 HB3 :: 2.196 HG2 :: 2.771 HG3 :: 2.771 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 :: 121.539 Ave N Shift Values>> N :: 120.68(3.68) 1.V23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.97 I 0.01 A 0.01 C Shift Assignments>> C :: 172.625 CA :: 59.570 CB :: 34.667 CG1 :: 21.284 CG2 :: 19.661 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 :: 7.373 HA :: 4.531 HB :: 1.866 HG11 :: 0.602 HG12 :: 0.602 HG13 :: 0.602 HG21 :: 0.536 HG22 :: 0.536 HG23 :: 0.536 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 :: 111.923 Ave N Shift Values>> N :: 121.02(4.96) 1.T24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.309 CA :: 61.994 CB :: 71.220 CG2 :: 21.443 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 :: 7.112 HA :: 5.119 HB :: 3.966 HG21 :: 1.372 HG22 :: 1.372 HG23 :: 1.372 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 :: 117.656 Ave N Shift Values>> N :: 115.7(5.05) 1.M25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.48 M 0.4 Q 0.04 K 0.04 I 0.01 HN Overlap>> 1.V44 1.V44 C Shift Assignments>> C :: 173.777 CA :: 54.247 CB :: 36.287 CG :: 31.443 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 :: 9.515 HA :: 4.935 HB2 :: 2.195 HB3 :: 1.859 HE1 :: 0.770 HE2 :: 0.770 HE3 :: 0.770 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 :: 122.056 Ave N Shift Values>> N :: 120.1(3.88) 1.K26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.79 R 0.12 M 0.02 A 0.02 G 0.01 C Shift Assignments>> C :: 174.929 CA :: 53.476 CB :: 34.097 CG :: 24.035 CD :: 28.480 CE :: 41.885 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 :: 8.949 HA :: 4.896 HB2 :: 1.693 HB3 :: 1.693 HG2 :: 1.428 HG3 :: 1.428 HE2 :: 3.011 HE3 :: 3.011 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 124.668 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.57 R 0.37 M 0.03 G 0.01 C Shift Assignments>> C :: 177.344 CA :: 58.539 CB :: 32.202 CG :: 24.176 CD :: 28.584 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 :: 9.061 HA :: 4.656 HB2 :: 2.015 HB3 :: 2.015 HG2 :: 1.432 HG3 :: 1.432 HD2 :: 1.704 HD3 :: 1.704 HE2 :: 3.022 HE3 :: 3.022 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 122.567 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.G28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.65 L 0.18 R 0.11 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 174.021 CA :: 44.779 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.900 HA2 :: 3.523 HA3 :: 4.469 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 115.884 Ave N Shift Values>> N :: 109.91(4.29) 1.D29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.22 K 0.2 D 0.2 F 0.13 Y 0.1 R 0.06 N 0.04 I 0.01 HN Overlap>> 1.E7 1.E7 C Shift Assignments>> C :: 174.331 CA :: 55.711 CB :: 41.361 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 :: 8.513 HA :: 4.523 HB2 :: 2.811 HB3 :: 2.582 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 :: 122.466 Ave N Shift Values>> N :: 120.73(4.2) 1.I30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 176.236 CA :: 60.164 CB :: 38.257 CG1 :: 27.633 CG2 :: 18.603 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 :: 8.204 HA :: 5.025 HB :: 1.775 HG12 :: 1.102 HG13 :: 1.676 HG21 :: 0.882 HG22 :: 0.882 HG23 :: 0.882 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 :: 120.470 Ave N Shift Values>> N :: 121.6(4.72) 1.L31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.42 G 0.27 R 0.23 K 0.05 C Shift Assignments>> C :: 175.638 CA :: 53.601 CB :: 43.893 CG :: 27.845 CD1 :: 26.575 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.353 HA :: 4.998 HB2 :: 1.648 HB3 :: 1.459 HD11 :: 0.890 HD12 :: 0.890 HD13 :: 0.890 HD21 :: 0.890 HD22 :: 0.890 HD23 :: 0.890 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 128.265 Ave N Shift Values>> N :: 121.98(4.07) 1.T32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.600 CA :: 63.263 CB :: 69.867 CG2 :: 21.919 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 :: 8.141 HA :: 4.619 HB :: 4.043 HG21 :: 1.112 HG22 :: 1.112 HG23 :: 1.112 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 :: 117.089 Ave N Shift Values>> N :: 115.7(5.05) 1.L33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.82 G 0.07 R 0.06 A 0.02 C Shift Assignments>> C :: 174.553 CA :: 54.671 CB :: 42.968 CG :: 26.434 CD1 :: 25.164 CD2 :: 23.471 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.070 HA :: 4.356 HB2 :: 1.802 HB3 :: 1.802 HG :: 1.135 HD11 :: 0.686 HD12 :: 0.686 HD13 :: 0.686 HD21 :: 0.376 HD22 :: 0.376 HD23 :: 0.376 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 129.212 Ave N Shift Values>> N :: 121.98(4.07) 1.L34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.63 A 0.18 R 0.1 G 0.07 C Shift Assignments>> C :: 177.477 CA :: 54.811 CB :: 42.977 CG :: 26.646 CD1 :: 25.587 CD2 :: 21.707 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.051 HA :: 4.532 HB2 :: 1.412 HB3 :: 1.146 HD11 :: 0.707 HD12 :: 0.707 HD13 :: 0.707 HD21 :: 0.668 HD22 :: 0.668 HD23 :: 0.668 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 :: 125.880 Ave N Shift Values>> N :: 121.98(4.07) 1.N35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.2 K 0.13 N 0.11 F 0.1 Y 0.09 R 0.02 C Shift Assignments>> C :: 174.375 CA :: 54.543 CB :: 40.958 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 :: 7.600 HA :: 4.680 HB2 :: 2.748 HB3 :: 2.674 HD21 :: 6.970 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 :: 113.971 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.S36 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.401 CA :: 56.692 CB :: 62.180 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.194 HA :: 3.921 HB2 :: 2.831(S) HB3 :: 2.017(S) Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 123.815 Ave N Shift Values>> N :: 116.3(3.95) 1.T37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.261 CA :: 65.484 CB :: 69.416 CG2 :: 21.636 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 :: 8.178 HA :: 4.528 HB :: 3.974 HG21 :: 1.299 HG22 :: 1.299 HG23 :: 1.299 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 :: 115.041 Ave N Shift Values>> N :: 115.7(5.05) 1.N38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.37 N 0.26 L 0.15 F 0.07 Y 0.07 K 0.05 HN Overlap>> 1.E7 1.E7 C Shift Assignments>> C :: 174.575 CA :: 53.188 CB :: 40.525 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 :: 8.674 HA :: 4.863 HB2 :: 3.700 HB3 :: 2.898 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 :: 122.494 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.K39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.6 R 0.31 M 0.06 G 0.01 C Shift Assignments>> C :: 176.236 CA :: 58.333 CB :: 32.520 CG :: 23.965 CD :: 29.044 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 :: 8.510 HA :: 4.247 HB2 :: 1.834 HB3 :: 1.834 HG2 :: 1.424 HG3 :: 1.424 HE2 :: 3.029 HE3 :: 3.029 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 :: 120.915 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.D40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.33 R 0.3 D 0.09 K 0.08 G 0.07 F 0.05 Y 0.03 C Shift Assignments>> C :: 176.967 CA :: 55.380 CB :: 43.415 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 :: 8.173 HA :: 4.544 HB2 :: 2.636 HB3 :: 2.273 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 :: 114.628 Ave N Shift Values>> N :: 120.73(4.2) 1.W41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.99 C Shift Assignments>> C :: 174.176 CA :: 56.184 CB :: 32.019 CD1 :: 127.653 CE3 :: 120.013 CZ2 :: 114.450 CZ3 :: 120.571 CH2 :: 125.426 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 :: 8.209 HA :: 5.075 HB2 :: 2.803 HB3 :: 2.950 HD1 :: 7.072 HE1 :: 10.088 HE3 :: 7.077 HZ2 :: 7.373 HZ3 :: 6.584 HH2 :: 7.220 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 122.703 NE1 :: 128.939 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.W42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.99 C Shift Assignments>> C :: 174.109 CA :: 54.076 CB :: 31.447 CD1 :: 125.254 CE3 :: 118.979 CZ2 :: 114.480 CZ3 :: 120.571 CH2 :: 124.214 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 9.366 HA :: 5.523 HB2 :: 2.983 HB3 :: 2.796 HD1 :: 7.530 HE1 :: 9.296 HE3 :: 7.067 HZ2 :: 7.531 HZ3 :: 6.697 HH2 :: 7.204 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 124.895 NE1 :: 129.347 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.K43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.75 R 0.17 M 0.04 G 0.01 C Shift Assignments>> C :: 175.416 CA :: 55.158 CB :: 33.794 CG :: 24.187 CD :: 28.764 CE :: 41.885 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 :: 8.883 HA :: 4.368 HB2 :: 1.855 HB3 :: 1.855 HG2 :: 1.429 HG3 :: 1.429 HD2 :: 1.687 HD3 :: 1.687 HE2 :: 3.006 HE3 :: 3.006 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 124.120 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.V44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.57 I 0.25 A 0.16 HN Overlap>> 1.M25 1.M25 C Shift Assignments>> C :: 173.223 CA :: 58.825 CB :: 36.593 CG1 :: 21.001 CG2 :: 18.391 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.427 HA :: 5.375 HB :: 2.134 HG11 :: 0.815 HG12 :: 0.815 HG13 :: 0.815 HG21 :: 0.747 HG22 :: 0.747 HG23 :: 0.747 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 122.055 Ave N Shift Values>> N :: 121.02(4.96) 1.E45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.68 E 0.25 Q 0.05 C Shift Assignments>> C :: 174.774 CA :: 54.249 CB :: 33.286 CG :: 35.579 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 :: 8.733 HA :: 5.432 HB2 :: 1.982 HB3 :: 1.982 HG2 :: 2.168 HG3 :: 2.168 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 :: 118.673 Ave N Shift Values>> N :: 120.68(3.68) 1.V46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.5 M 0.35 I 0.13 C Shift Assignments>> C :: 173.534 CA :: 59.627 CB :: 35.290 CG1 :: 20.297 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.058 HA :: 4.669 HB :: 2.049 HG11 :: 0.960 HG12 :: 0.960 HG13 :: 0.960 HG21 :: 0.960 HG22 :: 0.960 HG23 :: 0.960 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 123.551 Ave N Shift Values>> N :: 121.02(4.96) 1.K47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.71 R 0.23 M 0.04 C Shift Assignments>> C :: 175.306 CA :: 55.905 CB :: 33.450 CG :: 24.882 CD :: 29.115 CE :: 41.746 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 :: 8.446 HA :: 4.763 HB2 :: 1.696 HB3 :: 1.553 HG2 :: 1.408 HG3 :: 1.268 HE2 :: 2.934 HE3 :: 2.934 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 124.992 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.A48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.69 L 0.16 M 0.13 C Shift Assignments>> C :: 175.173 CA :: 50.828 CB :: 21.741 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.757 HA :: 4.616 HB1 :: 1.041 HB2 :: 1.041 HB3 :: 1.041 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 128.781 Ave N Shift Values>> N :: 123.23(3.7) 1.T49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.176 CA :: 60.826 CB :: 71.045 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 :: 8.333 HA :: 5.257 HB :: 3.879 HG21 :: 1.034 HG22 :: 1.034 HG23 :: 1.034 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 :: 113.585 Ave N Shift Values>> N :: 115.7(5.05) 1.A50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.69 M 0.2 L 0.09 C Shift Assignments>> C :: 177.299 CA :: 52.345 CB :: 20.935 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.914 HA :: 4.603 HB1 :: 1.385 HB2 :: 1.385 HB3 :: 1.385 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 127.142 Ave N Shift Values>> N :: 123.23(3.7) 1.N51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.43 Y 0.15 E 0.13 F 0.09 D 0.08 M 0.05 K 0.01 I 0.01 L 0.01 C Shift Assignments>> C :: 175.106 CA :: 54.177 CB :: 37.413 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 9.491 HA :: 4.389 HB2 :: 3.021 HB3 :: 2.768 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 :: 121.555 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.G52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.09 R 0.03 C Shift Assignments>> C :: 173.666 CA :: 45.443 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.681 HA2 :: 3.624 HA3 :: 4.143 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 103.942 Ave N Shift Values>> N :: 109.91(4.29) 1.K53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.74 R 0.18 G 0.02 M 0.02 C Shift Assignments>> C :: 175.239 CA :: 54.807 CB :: 34.737 CG :: 24.317 CD :: 28.692 CE :: 42.238 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 :: 7.893 HA :: 4.727 HB2 :: 1.836 HB3 :: 1.836 HG2 :: 1.430 HG3 :: 1.430 HD2 :: 1.691 HD3 :: 1.691 HE2 :: 2.997 HE3 :: 2.997 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 :: 121.213 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.T54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.733 CA :: 61.925 CB :: 70.294 CG2 :: 21.566 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 :: 8.498 HA :: 5.117 HB :: 3.943 HG21 :: 1.131 HG22 :: 1.131 HG23 :: 1.131 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 :: 118.501 Ave N Shift Values>> N :: 115.7(5.05) 1.Y55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 172.847 CA :: 56.149 CB :: 40.090 CD1 :: 133.760 CD2 :: 133.760 CE1 :: 117.732 CE2 :: 117.732 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 9.122 HA :: 4.857 HB2 :: 3.004 HB3 :: 2.966 HD1 :: 6.986 HD2 :: 6.986 HE1 :: 6.645 HE2 :: 6.645 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 :: 125.105 Ave N Shift Values>> N :: 120.79(4.69) 1.E56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.34 M 0.25 K 0.22 E 0.14 R 0.02 C Shift Assignments>> C :: 175.394 CA :: 54.739 CB :: 30.297 CG :: 33.842 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 :: 8.503 HA :: 5.030 HB2 :: 1.919 HB3 :: 1.919 HG3 :: 2.298 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 :: 119.744 Ave N Shift Values>> N :: 120.68(3.68) 1.R57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.52 K 0.23 G 0.23 C Shift Assignments>> C :: 174.198 CA :: 54.944 CB :: 33.471 CG :: 27.069 CD :: 43.578 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 :: 8.897 HA :: 4.663 HB2 :: 1.805 HB3 :: 1.805 HG2 :: 1.560 HG3 :: 1.560 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 :: 123.665 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.Q58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.52 Q 0.28 K 0.11 E 0.06 R 0.01 C Shift Assignments>> C :: 175.771 CA :: 53.394 CB :: 31.229 CG :: 33.419 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 :: 8.604 HA :: 5.602 HB2 :: 1.938 HB3 :: 1.938 HG2 :: 2.377 HG3 :: 2.206 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 :: 119.967 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.G59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.08 R 0.02 C Shift Assignments>> C :: 170.255 CA :: 45.583 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.652 HA2 :: 3.947 HA3 :: 3.947 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.507 Ave N Shift Values>> N :: 109.91(4.29) 1.F60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.95 G 0.04 C Shift Assignments>> C :: 175.461 CA :: 58.544 CB :: 42.484 CD1 :: 131.528 CD2 :: 131.528 CE1 :: 131.562 CE2 :: 131.562 CZ :: 129.921 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 :: 9.153 HA :: 5.666 HB2 :: 3.179 HB3 :: 2.604 HD1 :: 7.143 HD2 :: 7.143 HE1 :: 7.416 HE2 :: 7.416 HZ :: 7.356 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 :: 119.079 Ave N Shift Values>> N :: 120.69(4.18) 1.V61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.67 A 0.24 I 0.08 C Shift Assignments>> CA :: 58.189 CB :: 33.521 CG1 :: 22.124 CG2 :: 17.155 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.065 HA :: 4.823 HB :: 1.775 HG11 :: 1.063 HG12 :: 1.063 HG13 :: 1.063 HG21 :: 0.667 HG22 :: 0.667 HG23 :: 0.667 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 :: 110.995 Ave N Shift Values>> N :: 121.02(4.96) 1.P62 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.787 CA :: 61.852 CB :: 29.777 CG :: 27.774 CD :: 49.872 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 3.556 HB2 :: 1.268 HB3 :: 0.826 HG2 :: 0.636(S) HG3 :: 0.636(S) HD2 :: 2.471 HD3 :: 2.173(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.A63 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.77 A 0.19 I 0.02 C Shift Assignments>> C :: 178.429 CA :: 54.472 CB :: 15.666 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.477 HA :: 2.652(S) HB1 :: -0.071(S) HB2 :: -0.071(S) HB3 :: -0.071(S) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 129.142 Ave N Shift Values>> N :: 123.23(3.7) 1.A64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.68 M 0.3 C Shift Assignments>> C :: 178.097 CA :: 52.768 CB :: 17.629 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.867 HA :: 4.006 HB1 :: 1.173 HB2 :: 1.173 HB3 :: 1.173 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 113.522 Ave N Shift Values>> N :: 123.23(3.7) 1.Y65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 174.375 CA :: 56.328 CB :: 37.765 CD1 :: 130.987 CD2 :: 130.987 CE1 :: 118.197 CE2 :: 118.197 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 7.698 HA :: 4.758 HB2 :: 3.384 HB3 :: 2.981 HD1 :: 6.754 HD2 :: 6.754 HE1 :: 6.866 HE2 :: 6.866 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 :: 116.109 Ave N Shift Values>> N :: 120.79(4.69) 1.V66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.61 A 0.21 I 0.17 C Shift Assignments>> C :: 173.511 CA :: 58.119 CB :: 35.809 CG1 :: 22.412 CG2 :: 19.237 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 :: 7.415 HA :: 5.538 HB :: 1.879 HG11 :: 0.724 HG12 :: 0.724 HG13 :: 0.724 HG21 :: 0.724 HG22 :: 0.724 HG23 :: 0.724 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 :: 111.053 Ave N Shift Values>> N :: 121.02(4.96) 1.K67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.51 R 0.33 G 0.05 M 0.05 A 0.04 C Shift Assignments>> C :: 175.992 CA :: 54.035 CB :: 36.779 CG :: 24.035 CD :: 29.397 CE :: 42.167 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 :: 8.631 HA :: 4.830 HB2 :: 1.711 HB3 :: 1.711 HG2 :: 1.429 HG3 :: 1.373 HE2 :: 2.951 HE3 :: 2.951 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 118.588 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.6 R 0.36 M 0.02 C Shift Assignments>> C :: 176.657 CA :: 58.335 CB :: 32.893 CG :: 25.870 CD :: 29.397 CE :: 41.815 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 9.227 HA :: 4.494 HB2 :: 1.825 HB3 :: 1.706 HG2 :: 1.418 HG3 :: 1.418 HE2 :: 3.029 HE3 :: 3.029 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 :: 125.838 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.81 R 0.08 A 0.06 G 0.02 C Shift Assignments>> C :: 176.147 CA :: 54.873 CB :: 42.345 CG :: 26.646 CD1 :: 25.446 CD2 :: 22.836 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 :: 8.449 HA :: 4.437 HB2 :: 1.672 HB3 :: 1.556 HG :: 1.237 HD11 :: 0.857 HD12 :: 0.857 HD13 :: 0.857 HD21 :: 0.802 HD22 :: 0.802 HD23 :: 0.802 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 :: 125.443 Ave N Shift Values>> N :: 121.98(4.07) 1.D70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 N 0.25 L 0.13 F 0.11 Y 0.1 K 0.03 C Shift Assignments>> CA :: 54.044 CB :: 40.093 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 :: 7.986 HA :: 4.464 HB2 :: 2.850 HB3 :: 2.850 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 123.995 Ave N Shift Values>> N :: 120.73(4.2) ########################################################################### Overall Results: #Consistent: 67 #Clerical: 0 #Suspicious: 3 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 70 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 70 #Suspicious: 0 C Shift Results: #Consistent: 320 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 480 #Duplicate: 0 #Unknown: 0 #Suspicious: 9 #Anomalous: 0 N Shift Results: #Consistent: 69 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.S36 HB2 = 2.831(S), Expected = 3.88, Std = 0.2900, ChiSquare = 2.9776e-04 1.S36 HB3 = 2.017(S), Expected = 3.87, Std = 0.3100, ChiSquare = 2.2670e-09 1.P62 HG2 = 0.636(S), Expected = 1.93, Std = 0.3600, ChiSquare = 3.2508e-04 1.P62 HG3 = 0.636(S), Expected = 1.92, Std = 0.3700, ChiSquare = 5.1993e-04 1.P62 HD3 = 2.173(S), Expected = 3.63, Std = 0.4000, ChiSquare = 2.7000e-04 1.A63 HA = 2.652(S), Expected = 4.26, Std = 0.4200, ChiSquare = 1.2889e-04 1.A63 HB1 = -0.071(S), Expected = 1.38, Std = 0.2500, ChiSquare = 6.4751e-09 1.A63 HB2 = -0.071(S), Expected = 1.38, Std = 0.2500, ChiSquare = 6.4751e-09 1.A63 HB3 = -0.071(S), Expected = 1.38, Std = 0.2500, ChiSquare = 6.4751e-09