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>> M 0.66 A 0.31 I 0.01 C Shift Assignments>> C :: 172.233 CA :: 55.276 CB :: 34.929 CG :: 31.564 CE :: 17.355 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 :: 3.922 HB2 :: 1.922 HB3 :: 1.922 HG2 :: 2.493 HG3 :: 2.374 HE1 :: 2.045 HE2 :: 2.045 HE3 :: 2.045 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.K2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.69 R 0.22 M 0.06 C Shift Assignments>> C :: 176.731 CA :: 56.022 CB :: 33.087 CG :: 24.653 CD :: 29.272 CE :: 41.842 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 :: 8.671 HA :: 4.288 HB2 :: 1.809 HB3 :: 1.759 HG2 :: 1.577 HG3 :: 1.538 HD2 :: 1.821 HD3 :: 1.788 HE2 :: 3.080 HE3 :: 3.080 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 :: 124.086 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.D3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.27 L 0.17 F 0.16 Y 0.15 N 0.11 K 0.09 I 0.01 R 0.01 C Shift Assignments>> C :: 176.145 CA :: 55.318 CB :: 40.431 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 :: 8.597 HA :: 4.338 HB2 :: 2.716 HB3 :: 2.716 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 :: 128.425 Ave N Shift Values>> N :: 120.73(4.2) 1.G4 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 :: 170.930 CA :: 44.621 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.561 HA2 :: 4.138 HA3 :: 3.830 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.914 Ave N Shift Values>> N :: 109.91(4.29) 1.T5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.625 CA :: 61.878 CB :: 69.860 CG2 :: 21.952 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 :: 7.953 HA :: 5.035 HB :: 3.709 HG21 :: 1.076 HG22 :: 1.076 HG23 :: 1.076 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 :: 116.066 Ave N Shift Values>> N :: 115.7(5.05) 1.Y6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 173.625 CA :: 57.590 CB :: 40.588 CD1 :: 133.534 CE1 :: 116.705 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 :: 9.718 HA :: 4.745 HB2 :: 2.425 HB3 :: 3.048 HD1 :: 7.069 HD2 :: 7.069 HE1 :: 6.586 HE2 :: 6.586 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 127.899 Ave N Shift Values>> N :: 120.79(4.69) 1.Y7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.72 G 0.27 C Shift Assignments>> C :: 174.446 CA :: 56.427 CB :: 43.244 CD1 :: 133.379 CE1 :: 117.136 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 :: 8.832 HA :: 5.769 HB2 :: 2.940 HB3 :: 2.699 HD1 :: 7.158 HD2 :: 7.158 HE1 :: 6.583 HE2 :: 6.583 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 :: 124.218 Ave N Shift Values>> N :: 120.79(4.69) 1.A8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 K 0.14 A 0.07 M 0.07 P 0.05 R 0.03 C Shift Assignments>> C :: 173.157 CA :: 51.275 CB :: 23.868 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.121 HA :: 4.279 HB1 :: 1.169 HB2 :: 1.169 HB3 :: 1.169 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 127.045 Ave N Shift Values>> N :: 123.23(3.7) 1.E9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.82 Q 0.09 E 0.07 C Shift Assignments>> C :: 175.383 CA :: 52.667 CB :: 33.400 CG :: 34.492 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 :: 8.217 HA :: 5.153 HB2 :: 1.809 HB3 :: 1.967 HG2 :: 2.280 HG3 :: 2.073 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 :: 113.765 Ave N Shift Values>> N :: 120.68(3.68) 1.A10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.81 M 0.16 L 0.02 C Shift Assignments>> C :: 176.087 CA :: 51.888 CB :: 20.092 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.517 HA :: 4.175 HB1 :: 1.658 HB2 :: 1.658 HB3 :: 1.658 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.021 Ave N Shift Values>> N :: 123.23(3.7) 1.D11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.19 F 0.18 L 0.18 D 0.16 Y 0.15 R 0.04 N 0.03 I 0.02 C Shift Assignments>> C :: 175.266 CA :: 56.540 CB :: 41.030 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 :: 8.392 HA :: 4.236 HB2 :: 2.684 HB3 :: 2.516 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 :: 117.972 Ave N Shift Values>> N :: 120.73(4.2) 1.D12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.46 L 0.23 D 0.11 R 0.11 N 0.01 F 0.01 K 0.01 Y 0.01 C Shift Assignments>> C :: 175.090 CA :: 51.578 CB :: 43.765 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 :: 7.660 HA :: 4.653 HB2 :: 2.634 HB3 :: 2.499 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 :: 114.159 Ave N Shift Values>> N :: 120.73(4.2) 1.F13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.54 F 0.45 C Shift Assignments>> C :: 175.911 CA :: 58.138 CB :: 40.275 CD1 :: 133.208 CE1 :: 131.324 CZ :: 129.717 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.685 HA :: 4.155 HB2 :: 2.857 HB3 :: 2.691 HD1 :: 7.236 HD2 :: 7.236 HE1 :: 7.197 HE2 :: 7.197 HZ :: 7.282 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 :: 118.695 Ave N Shift Values>> N :: 120.69(4.18) 1.D14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.38 N 0.2 L 0.18 K 0.08 F 0.06 Y 0.05 R 0.02 C Shift Assignments>> C :: 177.727 CA :: 52.713 CB :: 41.130 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 :: 8.883 HA :: 4.670 HB2 :: 3.459 HB3 :: 2.924 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 :: 122.640 Ave N Shift Values>> N :: 120.73(4.2) 1.E15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.44 I 0.3 K 0.15 Q 0.07 M 0.01 C Shift Assignments>> C :: 177.551 CA :: 59.179 CB :: 28.578 CG :: 36.037 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.183 HA :: 4.204 HB2 :: 2.192 HB3 :: 2.149 HG2 :: 2.439 HG3 :: 2.400 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 117.907 Ave N Shift Values>> N :: 120.68(3.68) 1.S16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.508 CA :: 58.187 CB :: 64.579 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.466 HA :: 4.708 HB2 :: 4.272 HB3 :: 4.223 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 :: 115.934 Ave N Shift Values>> N :: 116.3(3.95) 1.G17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.83 L 0.1 R 0.04 C Shift Assignments>> C :: 172.512 CA :: 45.286 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.239 HA2 :: 3.963 HA3 :: 3.381 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.031 Ave N Shift Values>> N :: 109.91(4.29) 1.W18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.49 H 0.47 Y 0.03 C Shift Assignments>> C :: 176.673 CA :: 56.176 CB :: 32.618 CD1 :: 129.048 CZ2 :: 114.413 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 :: 8.297 HA :: 5.420 HB2 :: 3.248 HB3 :: 2.732 HD1 :: 7.326 HE1 :: 10.134 HZ2 :: 7.313 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 :: 119.221 NE1 :: 128.902 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.K19 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.71 R 0.24 G 0.02 M 0.01 C Shift Assignments>> C :: 174.153 CA :: 54.770 CB :: 35.019 CG :: 24.775 CD :: 28.695 CE :: 42.155 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 :: 10.122 HA :: 4.731 HB2 :: 0.878(S) HB3 :: 1.507 HG2 :: 1.205 HG3 :: 1.205 HD2 :: 1.581 HD3 :: 1.581 HE2 :: 2.965 HE3 :: 2.965 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 128.294 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.D20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.32 R 0.28 G 0.25 D 0.04 F 0.04 Y 0.02 K 0.01 C Shift Assignments>> C :: 174.270 CA :: 55.945 CB :: 44.287 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 :: 8.195 HA :: 5.058 HB2 :: 2.643 HB3 :: 2.474 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 :: 127.702 Ave N Shift Values>> N :: 120.73(4.2) 1.T21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 172.981 CA :: 59.896 CB :: 72.204 CG2 :: 21.958 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 :: 9.447 HA :: 4.986 HB :: 4.356 HG21 :: 1.357 HG22 :: 1.357 HG23 :: 1.357 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 :: 111.924 Ave N Shift Values>> N :: 115.7(5.05) 1.V22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.94 I 0.05 C Shift Assignments>> C :: 173.039 CA :: 61.505 CB :: 36.056 CG1 :: 21.804 CG2 :: 23.653 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 :: 8.744 HA :: 5.130 HB :: 1.451 HG11 :: 0.466 HG12 :: 0.466 HG13 :: 0.466 HG21 :: 0.713 HG22 :: 0.713 HG23 :: 0.713 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 :: 120.273 Ave N Shift Values>> N :: 121.02(4.96) 1.T23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.739 CA :: 61.728 CB :: 70.721 CG2 :: 21.340 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 :: 8.120 HA :: 5.302 HB :: 4.106 HG21 :: 1.276 HG22 :: 1.276 HG23 :: 1.276 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 :: 120.602 Ave N Shift Values>> N :: 115.7(5.05) 1.I24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.74 G 0.24 C Shift Assignments>> C :: 173.508 CA :: 60.204 CB :: 42.932 CG1 :: 28.607 CG2 :: 19.217 CD1 :: 14.337 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.813 HA :: 4.820 HB :: 1.643 HG12 :: 1.503 HG13 :: 0.930 HG21 :: 0.962 HG22 :: 0.962 HG23 :: 0.962 HD11 :: 0.614 HD12 :: 0.614 HD13 :: 0.614 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 :: 129.477 Ave N Shift Values>> N :: 121.6(4.72) 1.E25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.48 E 0.36 Q 0.11 K 0.03 C Shift Assignments>> C :: 175.442 CA :: 55.092 CB :: 31.993 CG :: 35.483 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 :: 8.737 HA :: 5.286 HB2 :: 1.992 HB3 :: 1.917 HG2 :: 2.155 HG3 :: 2.047 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 :: 127.505 Ave N Shift Values>> N :: 120.68(3.68) 1.V26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 176.087 CA :: 60.639 CB :: 33.999 CG1 :: 21.065 CG2 :: 22.100 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 :: 9.315 HA :: 5.003 HB :: 2.335 HG11 :: 0.635 HG12 :: 0.635 HG13 :: 0.635 HG21 :: 0.830 HG22 :: 0.830 HG23 :: 0.830 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 :: 128.162 Ave N Shift Values>> N :: 121.02(4.96) 1.K27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.48 R 0.47 G 0.02 M 0.01 C Shift Assignments>> C :: 176.555 CA :: 55.401 CB :: 36.746 CG :: 25.206 CD :: 28.902 CE :: 42.063 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 :: 9.220 HA :: 4.518 HB2 :: 1.604 HB3 :: 1.751 HG2 :: 1.352 HG3 :: 1.415 HD2 :: 1.700 HD3 :: 1.700 HE2 :: 2.969 HE3 :: 2.969 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 :: 128.754 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.N28 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> N 0.42 Y 0.16 E 0.13 F 0.09 D 0.08 M 0.05 I 0.01 K 0.01 L 0.01 C Shift Assignments>> C :: 176.438 CA :: 54.289 CB :: 37.453 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 :: 10.561(S) HA :: 4.454 HB2 :: 2.865 HB3 :: 3.065 HD21 :: 7.606 HD22 :: 6.992 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 :: 127.308 ND2 :: 113.365 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.G29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.08 R 0.02 C Shift Assignments>> C :: 173.743 CA :: 45.508 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 10.048 HA2 :: 4.080 HA3 :: 3.897 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 104.955 Ave N Shift Values>> N :: 109.91(4.29) 1.K30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.73 R 0.18 M 0.03 G 0.02 A 0.01 C Shift Assignments>> C :: 175.383 CA :: 53.729 CB :: 35.326 CG :: 24.318 CD :: 28.917 CE :: 42.082 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 :: 7.506 HA :: 4.687 HB2 :: 1.655 HB3 :: 1.655 HG2 :: 1.387 HG3 :: 1.337 HD2 :: 1.619 HD3 :: 1.619 HE2 :: 2.984 HE3 :: 2.984 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 :: 118.630 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.I31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 177.669 CA :: 63.611 CB :: 38.749 CG1 :: 27.941 CG2 :: 18.181 CD1 :: 14.070 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.843 HA :: 4.232 HB :: 1.705 HG12 :: 0.724 HG13 :: 0.660 HG21 :: 0.740 HG22 :: 0.740 HG23 :: 0.740 HD11 :: 0.647 HD12 :: 0.647 HD13 :: 0.647 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 123.232 Ave N Shift Values>> N :: 121.6(4.72) 1.V32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.97 I 0.02 C Shift Assignments>> C :: 175.676 CA :: 61.388 CB :: 33.556 CG1 :: 22.356 CG2 :: 19.074 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 :: 9.125 HA :: 4.612 HB :: 2.275 HG11 :: 1.032 HG12 :: 1.032 HG13 :: 1.032 HG21 :: 0.844 HG22 :: 0.844 HG23 :: 0.844 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 :: 121.654 Ave N Shift Values>> N :: 121.02(4.96) 1.S33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 171.926 CA :: 57.814 CB :: 64.939 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.587 HA :: 4.639 HB2 :: 3.847 HB3 :: 3.815 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.145 Ave N Shift Values>> N :: 116.3(3.95) 1.V34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.98 I 0.01 C Shift Assignments>> C :: 172.981 CA :: 60.481 CB :: 35.473 CG1 :: 22.287 CG2 :: 23.604 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 :: 8.905 HA :: 4.813 HB :: 1.975 HG11 :: 1.167 HG12 :: 1.167 HG13 :: 1.167 HG21 :: 0.950 HG22 :: 0.950 HG23 :: 0.950 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 :: 123.560 Ave N Shift Values>> N :: 121.02(4.96) 1.D35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.31 D 0.22 R 0.16 G 0.14 K 0.05 N 0.04 F 0.02 Y 0.02 C Shift Assignments>> C :: 176.555 CA :: 52.088 CB :: 43.088 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 :: 9.008 HA :: 5.272 HB2 :: 2.807 HB3 :: 2.599 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 124.284 Ave N Shift Values>> N :: 120.73(4.2) 1.W36 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> H 0.19 R 0.16 Q 0.15 W 0.14 E 0.13 K 0.1 M 0.09 C Shift Assignments>> C :: 179.206 CA :: 55.276 CB :: 30.118 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>> HA :: 4.288 HB2 :: 1.610(S) HB3 :: 1.510(S) HE1 :: 11.205 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>> NE1 :: 133.619 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.N37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.36 L 0.23 N 0.14 R 0.07 K 0.06 G 0.06 F 0.03 Y 0.02 C Shift Assignments>> C :: 177.727 CA :: 50.914 CB :: 42.169 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 :: 8.297 HA :: 4.961 HB2 :: 2.874 HB3 :: 2.782 HD21 :: 7.788 HD22 :: 7.594 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 120.010 ND2 :: 112.341 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.A38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 A 0.15 M 0.14 K 0.1 R 0.01 C Shift Assignments>> C :: 175.383 CA :: 52.851 CB :: 22.904 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.037 HA :: 5.244 HB1 :: 1.094 HB2 :: 1.094 HB3 :: 1.094 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 118.301 Ave N Shift Values>> N :: 123.23(3.7) 1.I39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.97 A 0.01 C Shift Assignments>> C :: 175.676 CA :: 59.311 CB :: 41.347 CG1 :: 26.610 CG2 :: 18.034 CD1 :: 13.523 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 :: 8.751 HA :: 4.936 HB :: 1.954 HG12 :: 1.287 HG13 :: 1.691 HG21 :: 1.099 HG22 :: 1.099 HG23 :: 1.099 HD11 :: 0.947 HD12 :: 0.947 HD13 :: 0.947 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 :: 117.249 Ave N Shift Values>> N :: 121.6(4.72) 1.N40 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> D 0.38 N 0.26 L 0.15 F 0.06 K 0.05 Y 0.05 R 0.01 C Shift Assignments>> C :: 177.200 CA :: 52.623 CB :: 40.744 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 :: 9.542 HA :: 4.645 HB2 :: 1.693 HB3 :: 2.433 HD21 :: 6.445 HD22 :: 4.043(S) 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 :: 126.453 ND2 :: 110.276 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) SRO Rule Breaks>> (HD22 > HA : 0.9966) 1.K41 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.52 R 0.37 M 0.08 C Shift Assignments>> C :: 176.262 CA :: 59.001 CB :: 31.264 CG :: 23.209 CD :: 29.227 CE :: 41.755 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 :: 8.634 HA :: 2.908 HB2 :: 0.495(S) HB3 :: 0.646(S) HG2 :: 0.608 HG3 :: 0.608 HD2 :: 1.229 HD3 :: 1.182 HE2 :: 2.738 HE3 :: 2.738 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 129.872 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.D42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 L 0.18 N 0.17 K 0.09 F 0.09 Y 0.08 R 0.01 C Shift Assignments>> C :: 176.380 CA :: 53.911 CB :: 40.802 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 :: 8.363 HA :: 4.604 HB2 :: 2.707 HB3 :: 2.250 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 :: 117.512 Ave N Shift Values>> N :: 120.73(4.2) 1.G43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.67 L 0.17 R 0.1 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 173.977 CA :: 44.821 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.631 HA2 :: 4.088 HA3 :: 3.755 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.782 Ave N Shift Values>> N :: 109.91(4.29) 1.G44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.42 L 0.25 R 0.23 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 174.036 CA :: 44.325 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.319 HA2 :: 4.046 HA3 :: 3.838 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.782 Ave N Shift Values>> N :: 109.91(4.29) 1.D45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.27 R 0.2 K 0.19 D 0.13 F 0.08 Y 0.06 N 0.01 G 0.01 HN Overlap>> 1.Y61 1.Y61 C Shift Assignments>> C :: 176.438 CA :: 55.749 CB :: 42.431 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 :: 8.319 HA :: 4.580 HB2 :: 2.491 HB3 :: 2.624 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 121.391 Ave N Shift Values>> N :: 120.73(4.2) 1.D46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.37 L 0.19 N 0.18 K 0.09 F 0.06 Y 0.05 R 0.02 C Shift Assignments>> C :: 174.680 CA :: 53.027 CB :: 41.161 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 :: 8.268 HA :: 5.020 HB2 :: 2.857 HB3 :: 3.339 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 :: 117.578 Ave N Shift Values>> N :: 120.73(4.2) 1.K47 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> K 0.83 R 0.13 M 0.02 C Shift Assignments>> C :: 177.551 CA :: 60.792 CB :: 32.306 CG :: 24.244 CD :: 27.566 CE :: 40.311 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 :: 8.165 HA :: 2.843 HB2 :: 0.404(S) HB3 :: -0.076(S) HG2 :: -0.241(S) HG3 :: -1.261(A) HD2 :: -1.179(A) HD3 :: -1.266(A) HE2 :: 0.606(A) HE3 :: 0.074(A) 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 :: 120.931 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) SRO Rule Breaks>> (HE3 > HB2 : 0.9970) 1.D48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.26 Y 0.2 K 0.2 L 0.11 I 0.08 R 0.06 D 0.05 C Shift Assignments>> C :: 178.489 CA :: 58.523 CB :: 41.213 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 :: 8.839 HA :: 4.487 HB2 :: 2.683 HB3 :: 2.560 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 :: 119.024 Ave N Shift Values>> N :: 120.73(4.2) 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 :: 176.511 CA :: 67.169 CB :: 68.300 CG2 :: 20.991 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 :: 8.121 HA :: 3.667 HB :: 4.098 HG21 :: 1.130 HG22 :: 1.130 HG23 :: 1.130 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 :: 117.315 Ave N Shift Values>> N :: 115.7(5.05) 1.L50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.76 R 0.13 G 0.08 C Shift Assignments>> C :: 179.720 CA :: 57.567 CB :: 43.027 CG :: 26.684 CD1 :: 24.984 CD2 :: 25.395 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 :: 8.510 HA :: 4.221 HB2 :: 1.643 HB3 :: 1.510 HG :: 1.601 HD11 :: 1.126 HD12 :: 1.126 HD13 :: 1.126 HD21 :: 1.115 HD22 :: 1.115 HD23 :: 1.115 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.522 Ave N Shift Values>> N :: 121.98(4.07) 1.S51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 179.237 CA :: 61.256 CB :: 62.798 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.920 HA :: 4.576 HB2 :: 4.102 HB3 :: 4.102 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 :: 113.239 Ave N Shift Values>> N :: 116.3(3.95) 1.R52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> R 0.62 K 0.28 M 0.05 P 0.02 C Shift Assignments>> C :: 177.741 CA :: 59.449 CB :: 29.650 CG :: 28.828 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>> HA :: 3.489 HB2 :: 1.593 HB3 :: 1.593 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) 1.N53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.58 D 0.19 Y 0.08 F 0.06 L 0.03 E 0.01 C Shift Assignments>> C :: 176.204 CA :: 52.857 CB :: 38.556 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 :: 7.909 HA :: 4.837 HB2 :: 2.949 HB3 :: 2.949 HD21 :: 7.645 HD22 :: 6.784 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 :: 115.803 ND2 :: 111.789 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.G54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.91 L 0.06 C Shift Assignments>> C :: 175.208 CA :: 46.173 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.836 HA2 :: 4.288 HA3 :: 4.105 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.111 Ave N Shift Values>> N :: 109.91(4.29) 1.G55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.09 R 0.03 C Shift Assignments>> C :: 173.274 CA :: 45.339 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.663 HA2 :: 4.370 HA3 :: 3.739 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.651 Ave N Shift Values>> N :: 109.91(4.29) 1.Y56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 176.497 CA :: 57.196 CB :: 39.924 CD1 :: 132.422 CE1 :: 117.955 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 :: 8.019 HA :: 4.802 HB2 :: 2.767 HB3 :: 2.699 HD1 :: 7.125 HD2 :: 7.125 HE1 :: 6.619 HE2 :: 6.619 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 :: 122.048 Ave N Shift Values>> N :: 120.79(4.69) 1.K57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.7 R 0.22 M 0.04 G 0.01 C Shift Assignments>> C :: 175.149 CA :: 54.783 CB :: 33.374 CG :: 24.466 CD :: 28.902 CE :: 42.137 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 :: 8.099 HA :: 4.396 HB2 :: 1.680 HB3 :: 1.585 HG2 :: 1.348 HG3 :: 1.277 HD2 :: 1.621 HD3 :: 1.621 HE2 :: 2.966 HE3 :: 2.966 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 :: 128.031 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.M58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.71 A 0.27 HN Overlap>> 1.A99 1.A99 C Shift Assignments>> C :: 176.087 CA :: 55.201 CB :: 33.595 CG :: 32.082 CE :: 17.119 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 :: 8.444 HA :: 4.313 HB2 :: 1.967 HB3 :: 2.075 HG2 :: 2.655 HG3 :: 2.581 HE1 :: 2.119 HE2 :: 2.119 HE3 :: 2.119 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 :: 122.508 Ave N Shift Values>> N :: 120.1(3.88) 1.V59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 176.262 CA :: 62.687 CB :: 32.499 CG1 :: 21.183 CG2 :: 20.547 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 :: 8.180 HA :: 4.086 HB :: 2.085 HG11 :: 0.901 HG12 :: 0.901 HG13 :: 0.901 HG21 :: 0.900 HG22 :: 0.900 HG23 :: 0.900 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 :: 120.273 Ave N Shift Values>> N :: 121.02(4.96) 1.E60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.58 M 0.21 K 0.08 I 0.05 Q 0.05 C Shift Assignments>> C :: 175.852 CA :: 56.315 CB :: 30.714 CG :: 36.370 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 :: 8.290 HA :: 4.315 HB2 :: 1.987 HB3 :: 1.930 HG2 :: 2.214 HG3 :: 2.170 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 :: 122.771 Ave N Shift Values>> N :: 120.68(3.68) 1.Y61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 HN Overlap>> 1.D45 1.D45 C Shift Assignments>> C :: 176.492 CA :: 58.366 CB :: 38.713 CD1 :: 132.994 CE1 :: 118.141 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 :: 8.312 HA :: 4.496 HB2 :: 3.048 HB3 :: 3.007 HD1 :: 7.082 HD2 :: 7.082 HE1 :: 6.806 HE2 :: 6.806 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 :: 121.421 Ave N Shift Values>> N :: 120.79(4.69) 1.G62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.08 R 0.02 C Shift Assignments>> C :: 174.563 CA :: 45.518 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.363 HA2 :: 3.922 HA3 :: 3.797 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.398 Ave N Shift Values>> N :: 109.91(4.29) 1.G63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 L 0.12 R 0.05 C Shift Assignments>> C :: 173.684 CA :: 45.136 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.982 HA2 :: 3.951 HA3 :: 3.886 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.374 Ave N Shift Values>> N :: 109.91(4.29) 1.A64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.77 M 0.21 C Shift Assignments>> C :: 177.493 CA :: 52.565 CB :: 19.053 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.180 HA :: 4.310 HB1 :: 1.353 HB2 :: 1.353 HB3 :: 1.353 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.823 Ave N Shift Values>> N :: 123.23(3.7) 1.Q65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.36 K 0.31 M 0.12 E 0.12 R 0.06 C Shift Assignments>> C :: 175.032 CA :: 55.260 CB :: 29.493 CG :: 33.686 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 :: 8.261 HA :: 4.338 HB2 :: 2.059 HB3 :: 1.909 HG2 :: 2.284 HG3 :: 2.284 HE21 :: 6.761 HE22 :: 7.490 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 :: 118.695 NE2 :: 112.348 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.A66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.82 M 0.14 L 0.02 C Shift Assignments>> C :: 176.965 CA :: 51.685 CB :: 20.230 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.953 HA :: 4.387 HB1 :: 1.286 HB2 :: 1.286 HB3 :: 1.286 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.823 Ave N Shift Values>> N :: 123.23(3.7) 1.E67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.53 M 0.21 K 0.11 Q 0.09 I 0.03 C Shift Assignments>> C :: 177.493 CA :: 55.846 CB :: 30.482 CG :: 36.054 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 :: 8.612 HA :: 4.460 HB2 :: 2.246 HB3 :: 2.246 HG2 :: 2.542 HG3 :: 2.457 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 :: 119.419 Ave N Shift Values>> N :: 120.68(3.68) 1.W68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.97 H 0.02 C Shift Assignments>> CA :: 54.154 CB :: 30.825 CD1 :: 125.944 CZ2 :: 113.941 CZ3 :: 120.520 CH2 :: 124.110 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 :: 9.963 HA :: 6.024 HB2 :: 3.614 HB3 :: 3.145 HD1 :: 8.205 HE1 :: 11.410 HZ2 :: 7.673 HZ3 :: 6.842 HH2 :: 7.540 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 :: 132.946 NE1 :: 129.539 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.H69 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.E70 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.Q71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> L 0.13 M 0.11 H 0.1 D 0.09 Q 0.08 K 0.07 R 0.07 W 0.05 E 0.05 Y 0.04 N 0.04 F 0.04 A 0.03 S 0.02 C Shift Assignments>> C :: 178.152 CA :: 55.432 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> HA :: 3.722 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) 1.A72 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.65 A 0.29 I 0.04 C Shift Assignments>> C :: 179.720 CA :: 55.179 CB :: 17.200 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.334 HA :: 3.531 HB1 :: -0.024(S) HB2 :: -0.024(S) HB3 :: -0.024(S) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.536 Ave N Shift Values>> N :: 123.23(3.7) 1.E73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.54 I 0.31 K 0.08 M 0.03 Q 0.01 C Shift Assignments>> C :: 180.013 CA :: 58.742 CB :: 29.552 CG :: 36.888 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 :: 7.338 HA :: 4.359 HB2 :: 2.175 HB3 :: 2.025 HG2 :: 2.534 HG3 :: 2.378 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 :: 116.329 Ave N Shift Values>> N :: 120.68(3.68) 1.K74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.6 R 0.32 M 0.04 G 0.01 C Shift Assignments>> C :: 179.368 CA :: 58.299 CB :: 31.993 CG :: 24.762 CD :: 29.272 CE :: 42.063 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 :: 7.250 HA :: 4.096 HB2 :: 2.034 HB3 :: 1.709 HG2 :: 1.641 HG3 :: 1.641 HD2 :: 1.674 HD3 :: 1.674 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 :: 118.104 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.V75 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 176.731 CA :: 66.343 CB :: 31.556 CG1 :: 21.856 CG2 :: 23.306 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 :: 7.425 HA :: 3.456 HB :: 1.992 HG11 :: -0.134(S) HG12 :: -0.134(S) HG13 :: -0.134(S) HG21 :: 0.915 HG22 :: 0.915 HG23 :: 0.915 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 :: 122.903 Ave N Shift Values>> N :: 121.02(4.96) 1.E76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.46 I 0.33 K 0.12 Q 0.04 M 0.02 C Shift Assignments>> C :: 178.489 CA :: 59.472 CB :: 29.025 CG :: 36.222 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 :: 8.473 HA :: 3.534 HB2 :: 2.050 HB3 :: 2.408 HG2 :: 2.543 HG3 :: 2.092 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 :: 119.353 Ave N Shift Values>> N :: 120.68(3.68) 1.A77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.51 A 0.45 I 0.02 C Shift Assignments>> C :: 180.481 CA :: 54.689 CB :: 18.131 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.828 HA :: 4.094 HB1 :: 1.544 HB2 :: 1.544 HB3 :: 1.544 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 117.578 Ave N Shift Values>> N :: 123.23(3.7) 1.Y78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 177.141 CA :: 61.578 CB :: 38.400 CD1 :: 133.224 CE1 :: 117.886 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 :: 7.872 HA :: 4.304 HB2 :: 3.132 HB3 :: 3.589 HD1 :: 7.163 HD2 :: 7.163 HE1 :: 6.731 HE2 :: 6.731 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 :: 121.588 Ave N Shift Values>> N :: 120.79(4.69) 1.L79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.97 R 0.01 C Shift Assignments>> C :: 178.723 CA :: 57.751 CB :: 40.168 CG :: 27.054 CD1 :: 24.964 CD2 :: 23.465 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 :: 7.953 HA :: 4.296 HB2 :: 2.292 HB3 :: 1.601 HG :: 1.620 HD11 :: 0.903 HD12 :: 0.903 HD13 :: 0.903 HD21 :: 0.811 HD22 :: 0.811 HD23 :: 0.811 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 :: 119.221 Ave N Shift Values>> N :: 121.98(4.07) 1.V80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 177.962 CA :: 66.892 CB :: 31.212 CG1 :: 21.435 CG2 :: 23.283 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 :: 7.770 HA :: 3.285 HB :: 2.170 HG11 :: 0.913 HG12 :: 0.913 HG13 :: 0.913 HG21 :: 0.909 HG22 :: 0.909 HG23 :: 0.909 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 :: 119.747 Ave N Shift Values>> N :: 121.02(4.96) 1.E81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.48 I 0.26 K 0.13 Q 0.07 M 0.04 C Shift Assignments>> C :: 178.723 CA :: 59.546 CB :: 29.493 CG :: 35.927 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 :: 8.121 HA :: 4.038 HB2 :: 2.084 HB3 :: 2.084 HG2 :: 2.042 HG3 :: 2.271 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 :: 120.405 Ave N Shift Values>> N :: 120.68(3.68) 1.K82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.67 R 0.26 M 0.05 G 0.01 C Shift Assignments>> C :: 179.134 CA :: 56.450 CB :: 33.244 CG :: 24.775 CD :: 29.139 CE :: 42.008 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 :: 8.473 HA :: 4.048 HB2 :: 1.709 HB3 :: 1.817 HG2 :: 1.282 HG3 :: 1.282 HD2 :: 1.712 HD3 :: 1.712 HE2 :: 3.053 HE3 :: 3.053 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 :: 115.080 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Q83 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Suspicious PRTL>> K 0.44 Q 0.22 R 0.21 M 0.03 I 0.02 E 0.02 V 0.01 C Shift Assignments>> C :: 173.801 CA :: 58.454 CB :: 26.056 CG :: 33.339 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 :: 8.971 HA :: 3.400 HB2 :: 2.516 HB3 :: 2.408 HG2 :: 2.207 HG3 :: 2.396 HE21 :: 9.102(S) HE22 :: 8.218 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 :: 111.267 NE2 :: 119.679(S) Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.D84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 G 0.22 L 0.22 N 0.09 R 0.08 K 0.04 F 0.02 Y 0.01 C Shift Assignments>> C :: 175.676 CA :: 50.316 CB :: 42.597 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 :: 6.671 HA :: 4.938 HB2 :: 2.761 HB3 :: 2.664 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 :: 115.277 Ave N Shift Values>> N :: 120.73(4.2) 1.P85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 174.401 CA :: 63.714 CB :: 31.993 CG :: 26.758 CD :: 50.344 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 :: 4.545 HB2 :: 2.333 HB3 :: 1.809 HG2 :: 1.877 HG3 :: 1.767 HD2 :: 4.188 HD3 :: 3.415 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.T86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.325 CA :: 61.794 CB :: 69.694 CG2 :: 21.657 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 :: 8.539 HA :: 4.382 HB :: 4.324 HG21 :: 1.116 HG22 :: 1.116 HG23 :: 1.116 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 :: 108.966 Ave N Shift Values>> N :: 115.7(5.05) 1.D87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.59 D 0.2 Y 0.07 F 0.06 L 0.03 E 0.01 C Shift Assignments>> C :: 173.215 CA :: 52.513 CB :: 38.713 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 :: 7.462 HA :: 4.602 HB2 :: 2.208 HB3 :: 2.940 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 124.547 Ave N Shift Values>> N :: 120.73(4.2) 1.I88 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.93 A 0.06 C Shift Assignments>> C :: 171.223 CA :: 57.106 CB :: 39.387 CG1 :: 27.349 CG2 :: 15.815 CD1 :: 13.841 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 :: 7.528 HA :: 4.055 HB :: 0.755(S) HG12 :: 0.035 HG13 :: -0.239(S) HG21 :: -0.085 HG22 :: -0.085 HG23 :: -0.085 HD11 :: 0.187 HD12 :: 0.187 HD13 :: 0.187 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 :: 120.733 Ave N Shift Values>> N :: 121.6(4.72) 1.K89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.76 R 0.16 M 0.03 G 0.02 A 0.01 C Shift Assignments>> C :: 175.559 CA :: 53.820 CB :: 34.650 CG :: 24.331 CD :: 28.917 CE :: 42.063 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 :: 6.708 HA :: 4.354 HB2 :: 1.626 HB3 :: 1.485 HG2 :: 1.314 HG3 :: 1.232 HD2 :: 1.680 HD3 :: 1.680 HE2 :: 2.970 HE3 :: 2.970 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 :: 124.086 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Y90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 175.794 CA :: 57.917 CB :: 40.119 CD1 :: 132.077 CE1 :: 117.508 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 :: 9.059 HA :: 4.837 HB2 :: 3.547 HB3 :: 2.807 HD1 :: 6.891 HD2 :: 6.891 HE1 :: 6.500 HE2 :: 6.500 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 :: 126.256 Ave N Shift Values>> N :: 120.79(4.69) 1.K91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.72 M 0.11 R 0.11 A 0.03 C Shift Assignments>> C :: 174.622 CA :: 55.329 CB :: 33.712 CG :: 23.331 CD :: 29.296 CE :: 41.424 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 :: 9.022 HA :: 4.612 HB2 :: 2.000 HB3 :: 1.560 HG2 :: 1.147 HG3 :: 1.147 HD2 :: 1.561 HD3 :: 1.468 HE2 :: 2.764 HE3 :: 2.924 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 :: 119.287 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.D92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.35 L 0.25 N 0.12 K 0.1 R 0.07 F 0.04 Y 0.03 G 0.01 C Shift Assignments>> C :: 176.028 CA :: 52.213 CB :: 41.966 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 :: 7.792 HA :: 4.758 HB2 :: 3.289 HB3 :: 2.965 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 :: 118.301 Ave N Shift Values>> N :: 120.73(4.2) 1.N93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.44 D 0.16 Y 0.15 F 0.11 E 0.05 L 0.03 M 0.01 I 0.01 C Shift Assignments>> C :: 175.749 CA :: 54.156 CB :: 38.244 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>> HA :: 4.712 HB2 :: 2.899 HB3 :: 2.766 HD21 :: 7.645 HD22 :: 6.943 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>> ND2 :: 113.050 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.D94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.28 D 0.22 K 0.17 R 0.13 F 0.07 Y 0.05 N 0.04 C Shift Assignments>> C :: 175.676 CA :: 54.469 CB :: 42.143 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 :: 8.011 HA :: 4.640 HB2 :: 2.564 HB3 :: 2.428 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 :: 118.432 Ave N Shift Values>> N :: 120.73(4.2) 1.G95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.05 C Shift Assignments>> C :: 175.501 CA :: 46.913 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.836 HA2 :: 3.290 HA3 :: 3.988 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 103.706 Ave N Shift Values>> N :: 109.91(4.29) 1.H96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.51 H 0.48 C Shift Assignments>> C :: 174.446 CA :: 57.985 CB :: 28.868 CD2 :: 119.931 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 :: 8.920 HA :: 4.886 HB2 :: 3.015 HB3 :: 3.473 HD2 :: 7.336 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 117.907 ND1 :: 181.595 NE2 :: 185.507 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.T97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 171.340 CA :: 60.812 CB :: 70.797 CG2 :: 19.512 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 :: 9.931 HA :: 4.787 HB :: 3.894 HG21 :: 1.187 HG22 :: 1.187 HG23 :: 1.187 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 :: 117.315 Ave N Shift Values>> N :: 115.7(5.05) 1.D98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.26 D 0.25 K 0.17 R 0.09 F 0.07 Y 0.06 N 0.05 C Shift Assignments>> C :: 177.200 CA :: 54.374 CB :: 41.838 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 :: 9.000 HA :: 5.101 HB2 :: 2.807 HB3 :: 2.450 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 :: 126.453 Ave N Shift Values>> N :: 120.73(4.2) 1.A99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.56 M 0.34 L 0.07 V 0.01 HN Overlap>> 1.A114 1.M58 1.A114 1.M58 C Shift Assignments>> C :: 176.321 CA :: 53.912 CB :: 20.408 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.502 HA :: 4.113 HB1 :: 1.303 HB2 :: 1.303 HB3 :: 1.303 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.574 Ave N Shift Values>> N :: 123.23(3.7) 1.I100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 174.856 CA :: 59.582 CB :: 38.764 CG1 :: 25.797 CG2 :: 18.034 CD1 :: 15.365 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 :: 7.513 HA :: 4.146 HB :: 1.539 HG12 :: 0.845 HG13 :: 0.137 HG21 :: 0.589 HG22 :: 0.589 HG23 :: 0.589 HD11 :: 0.529 HD12 :: 0.529 HD13 :: 0.529 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 :: 116.394 Ave N Shift Values>> N :: 121.6(4.72) 1.S101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.911 CA :: 60.329 CB :: 62.525 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.737 HA :: 4.105 HB2 :: 3.845 HB3 :: 3.823 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 :: 123.823 Ave N Shift Values>> N :: 116.3(3.95) 1.G102 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 :: 173.508 CA :: 45.314 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.883 HA2 :: 4.116 HA3 :: 3.622 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 113.568 Ave N Shift Values>> N :: 109.91(4.29) 1.A103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.89 M 0.1 C Shift Assignments>> C :: 176.497 CA :: 50.404 CB :: 18.348 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.011 HA :: 5.144 HB1 :: 1.114 HB2 :: 1.114 HB3 :: 1.114 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.903 Ave N Shift Values>> N :: 123.23(3.7) 1.T104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.969 CA :: 61.477 CB :: 69.313 CG2 :: 21.929 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 :: 9.044 HA :: 4.645 HB :: 4.430 HG21 :: 1.122 HG22 :: 1.122 HG23 :: 1.122 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 :: 115.408 Ave N Shift Values>> N :: 115.7(5.05) 1.I105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 175.911 CA :: 61.069 CB :: 40.036 CG1 :: 23.505 CG2 :: 18.255 CD1 :: 14.337 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 :: 7.228 HA :: 4.542 HB :: 2.328 HG12 :: 1.279 HG13 :: 1.158 HG21 :: 1.049 HG22 :: 1.049 HG23 :: 1.049 HD11 :: 0.618 HD12 :: 0.618 HD13 :: 0.618 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 :: 115.014 Ave N Shift Values>> N :: 121.6(4.72) 1.K106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.59 R 0.32 M 0.06 G 0.01 C Shift Assignments>> C :: 179.016 CA :: 58.208 CB :: 32.618 CG :: 24.910 CD :: 29.986 CE :: 42.137 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 :: 8.707 HA :: 3.747 HB2 :: 1.859 HB3 :: 1.809 HG2 :: 1.326 HG3 :: 1.326 HD2 :: 1.517 HD3 :: 1.517 HE2 :: 3.005 HE3 :: 3.005 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 :: 120.733 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.V107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.98 I 0.01 C Shift Assignments>> C :: 176.204 CA :: 60.790 CB :: 33.376 CG1 :: 22.209 CG2 :: 19.159 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 :: 8.422 HA :: 5.028 HB :: 2.695 HG11 :: 1.079 HG12 :: 1.079 HG13 :: 1.079 HG21 :: 1.194 HG22 :: 1.194 HG23 :: 1.194 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 :: 112.713 Ave N Shift Values>> N :: 121.02(4.96) 1.K108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.76 R 0.19 M 0.02 G 0.02 C Shift Assignments>> C :: 177.083 CA :: 59.438 CB :: 33.678 CG :: 24.466 CD :: 28.962 CE :: 42.137 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 :: 7.242 HA :: 4.773 HB2 :: 1.676 HB3 :: 1.235 HG2 :: 1.247 HG3 :: 1.247 HD2 :: 1.678 HD3 :: 1.678 HE2 :: 2.966 HE3 :: 2.966 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 :: 124.875 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.69 R 0.25 M 0.03 G 0.01 C Shift Assignments>> C :: 178.430 CA :: 59.230 CB :: 32.306 CG :: 25.058 CD :: 29.298 CE :: 41.842 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 :: 8.737 HA :: 4.006 HB2 :: 1.901 HB3 :: 1.751 HG2 :: 1.616 HG3 :: 1.564 HD2 :: 1.819 HD3 :: 1.795 HE2 :: 3.091 HE3 :: 3.091 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 :: 116.131 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.F110 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> F 0.59 Y 0.35 W 0.04 C Shift Assignments>> C :: 175.676 CA :: 60.960 CB :: 35.900 CD1 :: 131.979 CE1 :: 129.187 CZ :: 127.214 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 :: 6.568 HA :: 3.036 HB2 :: 0.329(A) HB3 :: 2.059 HD1 :: 5.421 HD2 :: 5.421 HE1 :: 6.408 HE2 :: 6.408 HZ :: 6.697 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 :: 114.751 Ave N Shift Values>> N :: 120.69(4.18) 1.F111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.56 F 0.43 C Shift Assignments>> C :: 178.430 CA :: 63.753 CB :: 38.244 CD1 :: 132.717 CE1 :: 129.888 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 :: 7.132 HA :: 3.464 HB2 :: 3.115 HB3 :: 3.248 HD1 :: 7.567 HD2 :: 7.567 HE1 :: 7.141 HE2 :: 7.141 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 :: 117.512 Ave N Shift Values>> N :: 120.69(4.18) 1.D112 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 I 0.09 L 0.08 K 0.04 N 0.02 E 0.01 C Shift Assignments>> C :: 179.954 CA :: 57.502 CB :: 39.799 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 :: 8.861 HA :: 4.188 HB2 :: 2.670 HB3 :: 2.493 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 :: 120.602 Ave N Shift Values>> N :: 120.73(4.2) 1.L113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.69 K 0.28 A 0.01 C Shift Assignments>> C :: 178.196 CA :: 57.165 CB :: 41.178 CG :: 26.684 CD1 :: 22.987 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 :: 7.828 HA :: 3.841 HB2 :: 1.726 HB3 :: 0.803 HG :: 0.579 HD11 :: 0.427 HD12 :: 0.427 HD13 :: 0.427 HD21 :: 0.427 HD22 :: 0.427 HD23 :: 0.427 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.062 Ave N Shift Values>> N :: 121.98(4.07) 1.A114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.6 A 0.35 I 0.03 HN Overlap>> 1.A99 1.A99 C Shift Assignments>> C :: 178.841 CA :: 54.938 CB :: 17.483 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.583 HA :: 3.481 HB1 :: 0.672 HB2 :: 0.672 HB3 :: 0.672 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.574 Ave N Shift Values>> N :: 123.23(3.7) 1.Q115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.32 K 0.32 E 0.17 R 0.08 I 0.05 M 0.02 C Shift Assignments>> C :: 178.489 CA :: 58.864 CB :: 28.302 CG :: 34.078 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 :: 7.975 HA :: 3.705 HB2 :: 2.002 HB3 :: 2.039 HG2 :: 2.174 HG3 :: 2.490 HE21 :: 7.176 HE22 :: 6.950 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 :: 114.948 NE2 :: 111.142 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.K116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.63 R 0.29 M 0.04 G 0.01 C Shift Assignments>> C :: 179.016 CA :: 59.614 CB :: 32.618 CG :: 24.836 CD :: 29.992 CE :: 42.137 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 :: 7.396 HA :: 3.872 HB2 :: 1.801 HB3 :: 1.801 HG2 :: 1.327 HG3 :: 1.327 HD2 :: 1.646 HD3 :: 1.516 HE2 :: 3.008 HE3 :: 3.008 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 :: 120.076 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.A117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.56 A 0.39 I 0.03 C Shift Assignments>> C :: 179.368 CA :: 54.813 CB :: 17.715 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.678 HA :: 3.949 HB1 :: 1.171 HB2 :: 1.171 HB3 :: 1.171 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.062 Ave N Shift Values>> N :: 123.23(3.7) 1.L118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.76 A 0.17 R 0.05 C Shift Assignments>> C :: 178.137 CA :: 55.017 CB :: 41.423 CG :: 26.733 CD1 :: 25.366 CD2 :: 21.831 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 :: 7.330 HA :: 3.830 HB2 :: 1.560 HB3 :: 1.443 HG :: 1.518 HD11 :: 0.633 HD12 :: 0.633 HD13 :: 0.633 HD21 :: 0.262 HD22 :: 0.262 HD23 :: 0.262 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 :: 112.844 Ave N Shift Values>> N :: 121.98(4.07) 1.K119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.61 R 0.31 M 0.04 G 0.01 C Shift Assignments>> C :: 178.079 CA :: 59.216 CB :: 32.150 CG :: 24.318 CD :: 29.257 CE :: 42.211 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 :: 7.513 HA :: 4.038 HB2 :: 1.959 HB3 :: 1.859 HG2 :: 1.508 HG3 :: 1.508 HD2 :: 1.048 HD3 :: 1.048 HE2 :: 2.814 HE3 :: 2.785 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 :: 122.377 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.D120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.27 L 0.2 K 0.14 F 0.13 Y 0.11 N 0.08 R 0.02 I 0.01 C Shift Assignments>> C :: 176.614 CA :: 55.143 CB :: 40.900 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 :: 8.217 HA :: 4.770 HB2 :: 2.957 HB3 :: 2.741 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 :: 118.235 Ave N Shift Values>> N :: 120.73(4.2) 1.A121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.67 M 0.3 C Shift Assignments>> C :: 177.786 CA :: 53.436 CB :: 19.024 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.609 HA :: 4.254 HB1 :: 1.044 HB2 :: 1.044 HB3 :: 1.044 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.917 Ave N Shift Values>> N :: 123.23(3.7) 1.E122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.52 M 0.15 K 0.15 Q 0.11 I 0.04 C Shift Assignments>> C :: 176.497 CA :: 56.139 CB :: 30.118 CG :: 36.000 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 :: 7.916 HA :: 4.329 HB2 :: 2.092 HB3 :: 1.926 HG2 :: 2.296 HG3 :: 2.178 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 117.118 Ave N Shift Values>> N :: 120.68(3.68) 1.K123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.65 R 0.28 M 0.05 G 0.01 C Shift Assignments>> C :: 176.497 CA :: 56.728 CB :: 32.982 CG :: 24.855 CD :: 29.124 CE :: 42.063 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 :: 7.975 HA :: 4.246 HB2 :: 1.762 HB3 :: 1.830 HG2 :: 1.466 HG3 :: 1.379 HD2 :: 1.683 HD3 :: 1.683 HE2 :: 3.044 HE3 :: 3.044 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 :: 121.325 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.84 R 0.09 A 0.02 G 0.02 C Shift Assignments>> C :: 177.258 CA :: 55.143 CB :: 42.307 CG :: 26.980 CD1 :: 24.923 CD2 :: 23.370 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 :: 8.239 HA :: 4.288 HB2 :: 1.606 HB3 :: 1.511 HG :: 1.568 HD11 :: 0.895 HD12 :: 0.895 HD13 :: 0.895 HD21 :: 0.830 HD22 :: 0.830 HD23 :: 0.830 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 :: 123.100 Ave N Shift Values>> N :: 121.98(4.07) 1.E125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.53 M 0.18 K 0.12 Q 0.09 I 0.05 C Shift Assignments>> C :: 176.087 CA :: 56.455 CB :: 30.357 CG :: 36.074 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 :: 8.297 HA :: 4.204 HB2 :: 1.902 HB3 :: 1.855 HG2 :: 2.182 HG3 :: 2.118 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 :: 121.062 Ave N Shift Values>> N :: 120.68(3.68) 1.H126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.18 R 0.16 Q 0.14 W 0.14 E 0.14 K 0.09 M 0.09 I 0.01 C Shift Assignments>> C :: 174.856 CA :: 55.787 CB :: 30.275 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 :: 8.261 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 :: 119.682 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.H127 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H128 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H129 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H130 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H131 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable ########################################################################### Overall Results: #Consistent: 120 #Clerical: 0 #Suspicious: 9 #Anomalous: 2 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 124 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 7 Shift Relative Order (SRO) Results: #Consistent: 129 #Suspicious: 2 C Shift Results: #Consistent: 512 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 798 #Duplicate: 0 #Unknown: 0 #Suspicious: 19 #Anomalous: 6 N Shift Results: #Consistent: 130 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 Error Summary: 1.K19 HB2 = 0.878(S), Expected = 1.79, Std = 0.2500, ChiSquare = 2.6429e-04 1.N28 H = 10.561(S), Expected = 8.37, Std = 0.6500, ChiSquare = 7.4959e-04 1.W36 HB2 = 1.610(S), Expected = 3.22, Std = 0.3600, ChiSquare = 7.7411e-06 1.W36 HB3 = 1.510(S), Expected = 3.18, Std = 0.3600, ChiSquare = 3.5029e-06 1.N40 HD22 = 4.043(S), Expected = 7.20, Std = 0.5200, ChiSquare = 1.2699e-09 1.N40 SRO Rule Break>> HD22 > HA : 0.996558505408063 1.K41 HB2 = 0.495(S), Expected = 1.79, Std = 0.2500, ChiSquare = 2.2189e-07 1.K41 HB3 = 0.646(S), Expected = 1.78, Std = 0.2600, ChiSquare = 1.2915e-05 1.K47 HB2 = 0.404(S), Expected = 1.79, Std = 0.2500, ChiSquare = 2.9564e-08 1.K47 HB3 = -0.076(S), Expected = 1.78, Std = 0.2600, ChiSquare = 9.4381e-13 1.K47 HG2 = -0.241(S), Expected = 1.38, Std = 0.2700, ChiSquare = 1.9287e-09 1.K47 HG3 = -1.261(A), Expected = 1.37, Std = 0.2900, ChiSquare = 1.1641e-19 1.K47 HD2 = -1.179(A), Expected = 1.61, Std = 0.2500, ChiSquare = 6.6936e-29 1.K47 HD3 = -1.266(A), Expected = 1.61, Std = 0.2500, ChiSquare = 1.2594e-30 1.K47 HE2 = 0.606(A), Expected = 2.93, Std = 0.2000, ChiSquare = 3.2614e-31 1.K47 HE3 = 0.074(A), Expected = 2.93, Std = 0.2000, ChiSquare = 2.9160e-46 1.K47 SRO Rule Break>> HE3 > HB2 : 0.99703557312253 1.A72 HB1 = -0.024(S), Expected = 1.38, Std = 0.2500, ChiSquare = 1.9543e-08 1.A72 HB2 = -0.024(S), Expected = 1.38, Std = 0.2500, ChiSquare = 1.9543e-08 1.A72 HB3 = -0.024(S), Expected = 1.38, Std = 0.2500, ChiSquare = 1.9543e-08 1.V75 HG11 = -0.134(S), Expected = 0.84, Std = 0.2700, ChiSquare = 3.0927e-04 1.V75 HG12 = -0.134(S), Expected = 0.84, Std = 0.2700, ChiSquare = 3.0927e-04 1.V75 HG13 = -0.134(S), Expected = 0.84, Std = 0.2700, ChiSquare = 3.0927e-04 1.Q83 HE21 = 9.102(S), Expected = 7.17, Std = 0.4600, ChiSquare = 2.6691e-05 1.Q83 NE2 = 119.679(S), Expected = 111.81, Std = 2.2000, ChiSquare = 3.4780e-04 1.I88 HB = 0.755(S), Expected = 1.80, Std = 0.3100, ChiSquare = 7.4905e-04 1.I88 HG13 = -0.239(S), Expected = 1.24, Std = 0.4000, ChiSquare = 2.1773e-04 1.F110 HB2 = 0.329(A), Expected = 2.99, Std = 0.3700, ChiSquare = 6.3900e-13