Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.Q2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> Q 0.39 K 0.34 E 0.13 M 0.08 R 0.03 C Shift Assignments>> C :: 176.144 CA :: 56.209 CB :: 29.459 CG :: 34.052 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> HA :: 4.447 HB2 :: 2.217 HB3 :: 2.063 HG2 :: 2.468 HG3 :: 2.468 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) 1.Q3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.38 K 0.35 E 0.14 M 0.05 R 0.03 I 0.01 C Shift Assignments>> C :: 176.988 CA :: 57.403 CB :: 29.239 CG :: 34.053 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.780 HA :: 4.323 HB2 :: 2.226 HB3 :: 2.085 HG2 :: 2.457 HG3 :: 2.419 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 122.052 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.86 R 0.1 G 0.02 C Shift Assignments>> C :: 177.638 CA :: 60.239 CB :: 32.699 CG :: 24.650 CD :: 29.925 CE :: 42.186 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.528 HA :: 4.004 HB2 :: 1.891 HB3 :: 1.728 HG2 :: 0.995 HG3 :: 0.921 HD2 :: 1.547 HD3 :: 1.547 HE2 :: 2.727 HE3 :: 2.547 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.855 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.35 K 0.3 E 0.12 R 0.1 I 0.09 M 0.01 C Shift Assignments>> C :: 178.761 CA :: 59.349 CB :: 27.950 CG :: 34.207 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.223 HA :: 3.941 HB2 :: 2.122 HB3 :: 2.070 HG2 :: 2.442 HG3 :: 2.442 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 116.397 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.35 K 0.35 E 0.15 I 0.06 R 0.05 M 0.01 HN Overlap>> 1.L65 1.L65 C Shift Assignments>> C :: 179.018 CA :: 59.089 CB :: 28.710 CG :: 34.239 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.848 HA :: 4.128 HB2 :: 2.249 HB3 :: 2.168 HG2 :: 2.427 HG3 :: 2.427 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.262 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.L58 1.L58 C Shift Assignments>> C :: 177.833 CA :: 65.129 CB :: 38.206 CG1 :: 29.172 CG2 :: 17.221 CD1 :: 13.328 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.095 HA :: 3.583 HB :: 2.110 HG12 :: 1.757 HG13 :: 1.176 HG21 :: 0.974 HG22 :: 0.974 HG23 :: 0.974 HD11 :: 1.006 HD12 :: 1.006 HD13 :: 1.006 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 121.296 Ave N Shift Values>> N :: 121.46(4.28) 1.M8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.99 C Shift Assignments>> C :: 177.355 CA :: 59.932 CB :: 32.721 CG :: 32.733 CE :: 16.626 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.672 HA :: 3.985 HB2 :: 2.002 HB3 :: 1.850 HG2 :: 2.504 HG3 :: 2.384 HE1 :: 1.923 HE2 :: 1.923 HE3 :: 1.923 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 117.603 Ave N Shift Values>> N :: 120.09(3.57) 1.A9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.61 A 0.32 I 0.04 C Shift Assignments>> C :: 180.546 CA :: 55.385 CB :: 17.898 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.795 HA :: 4.046 HB1 :: 1.482 HB2 :: 1.482 HB3 :: 1.482 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.774 Ave N Shift Values>> N :: 123.23(3.54) 1.A10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.61 M 0.32 I 0.02 L 0.01 V 0.01 HN Overlap>> 1.I36 1.I36 C Shift Assignments>> C :: 181.200 CA :: 55.012 CB :: 19.261 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.438 HA :: 4.205 HB1 :: 1.467 HB2 :: 1.467 HB3 :: 1.467 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.854 Ave N Shift Values>> N :: 123.23(3.54) 1.L11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.94 A 0.05 C Shift Assignments>> C :: 179.041 CA :: 58.346 CB :: 39.977 CG :: 25.647 CD1 :: 26.105 CD2 :: 21.515 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.757 HA :: 3.748 HB2 :: 2.050 HB3 :: 1.826 HG :: 1.677 HD11 :: 0.521 HD12 :: 0.521 HD13 :: 0.521 HD21 :: -0.157 HD22 :: -0.157 HD23 :: -0.157 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.775 Ave N Shift Values>> N :: 121.86(3.9) 1.N12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.46 E 0.17 Y 0.11 M 0.1 F 0.08 K 0.02 L 0.01 I 0.01 C Shift Assignments>> C :: 178.900 CA :: 54.065 CB :: 36.993 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.850 HA :: 4.564 HB2 :: 2.909 HB3 :: 2.792 HD21 :: 7.329 HD22 :: 6.171 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 116.313 ND2 :: 106.606 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.S13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.Y27 1.Y27 C Shift Assignments>> C :: 176.515 CA :: 61.141 CB :: 63.044 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.672 HA :: 4.370 HB2 :: 4.031 HB3 :: 4.031 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.747 Ave N Shift Values>> N :: 116.28(3.52) 1.Q14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.38 K 0.37 E 0.09 R 0.08 M 0.03 I 0.01 C Shift Assignments>> C :: 178.208 CA :: 57.749 CB :: 28.700 CG :: 33.813 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.573 HA :: 4.218 HB2 :: 2.255 HB3 :: 2.255 HG2 :: 2.276 HG3 :: 2.417 HE21 :: 7.522 HE22 :: 6.675 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.954 NE2 :: 110.291 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.T15 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.683 CA :: 61.551 CB :: 69.226 CG2 :: 21.944 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.741 HA :: 3.899 HB :: 2.503(S) HG1 :: 5.703 HG21 :: 0.380(S) HG22 :: 0.380(S) HG23 :: 0.380(S) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 107.493 Ave N Shift Values>> N :: 115.42(4.75) 1.A16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.57 A 0.29 I 0.08 V 0.02 C Shift Assignments>> C :: 179.899 CA :: 56.207 CB :: 18.724 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 6.873 HA :: 4.135 HB1 :: 1.519 HB2 :: 1.519 HB3 :: 1.519 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.034 Ave N Shift Values>> N :: 123.23(3.54) 1.V17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 178.537 CA :: 66.508 CB :: 31.693 CG1 :: 22.530 CG2 :: 20.919 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.162 HA :: 3.714 HB :: 1.978 HG11 :: 1.048 HG12 :: 1.048 HG13 :: 1.048 HG21 :: 0.897 HG22 :: 0.897 HG23 :: 0.897 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 117.150 Ave N Shift Values>> N :: 121.14(4.54) 1.Q18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 K 0.23 Q 0.2 I 0.16 M 0.02 R 0.01 C Shift Assignments>> C :: 180.429 CA :: 59.699 CB :: 29.186 CG :: 35.136 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.451 HA :: 4.057 HB2 :: 1.759 HB3 :: 1.849 HG2 :: 2.365 HG3 :: 2.328 HE21 :: 7.426 HE22 :: 6.937 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.489 NE2 :: 111.475 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.F19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.61 Y 0.37 H 0.01 C Shift Assignments>> C :: 177.858 CA :: 57.029 CB :: 35.905 CD1 :: 128.818 CE1 :: 132.077 CZ :: 128.423 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.924 HA :: 4.830 HB2 :: 3.430 HB3 :: 3.143 HD1 :: 6.945 HD2 :: 6.945 HE1 :: 7.318 HE2 :: 7.318 HZ :: 6.765 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 117.940 Ave N Shift Values>> N :: 120.45(4.18) 1.Q20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.34 K 0.29 E 0.11 I 0.1 R 0.1 P 0.01 M 0.01 C Shift Assignments>> C :: 178.986 CA :: 59.563 CB :: 27.895 CG :: 34.196 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.264 HA :: 4.106 HB2 :: 2.336 HB3 :: 2.258 HG2 :: 2.606 HG3 :: 2.503 HE21 :: 7.388 HE22 :: 6.787 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.297 NE2 :: 110.955 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.35 K 0.32 E 0.13 R 0.08 I 0.07 M 0.01 C Shift Assignments>> C :: 178.806 CA :: 59.170 CB :: 28.196 CG :: 34.239 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.527 HA :: 4.082 HB2 :: 2.237 HB3 :: 2.121 HG2 :: 2.646 HG3 :: 2.404 HE21 :: 7.467 HE22 :: 6.799 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.595 NE2 :: 111.478 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Y22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 177.789 CA :: 61.712 CB :: 38.724 CD1 :: 132.543 CE1 :: 118.175 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.843 HA :: 4.247 HB2 :: 3.330 HB3 :: 2.865 HD1 :: 6.958 HD2 :: 6.958 HE1 :: 6.649 HE2 :: 6.649 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 119.594 Ave N Shift Values>> N :: 120.52(4.2) 1.A23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.55 A 0.37 I 0.05 C Shift Assignments>> C :: 179.319 CA :: 55.589 CB :: 18.482 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.612 HA :: 3.857 HB1 :: 1.556 HB2 :: 1.556 HB3 :: 1.556 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.663 Ave N Shift Values>> N :: 123.23(3.54) 1.A24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.51 M 0.46 I 0.01 HN Overlap>> 1.Y46 1.Q62 1.Y46 1.Q62 C Shift Assignments>> C :: 178.987 CA :: 54.317 CB :: 17.891 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.168 HA :: 3.938 HB1 :: 1.449 HB2 :: 1.449 HB3 :: 1.449 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.002 Ave N Shift Values>> N :: 123.23(3.54) 1.Q25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.39 K 0.36 R 0.09 E 0.09 M 0.03 I 0.01 C Shift Assignments>> C :: 177.818 CA :: 57.454 CB :: 28.455 CG :: 33.896 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.300 HA :: 4.004 HB2 :: 2.123 HB3 :: 2.026 HG2 :: 2.474 HG3 :: 2.285 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 115.599 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 Q 0.37 M 0.1 R 0.09 E 0.03 C Shift Assignments>> C :: 175.979 CA :: 56.788 CB :: 29.080 CG :: 33.102 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.401 HA :: 3.704 HB2 :: 1.364 HB3 :: 1.235 HG2 :: 1.528 HG3 :: 1.372 HE21 :: 6.378 HE22 :: 6.665 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 116.989 NE2 :: 113.001 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Y27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 HN Overlap>> 1.S13 1.S13 C Shift Assignments>> C :: 172.931 CA :: 55.167 CB :: 39.660 CD1 :: 133.272 CE1 :: 118.291 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.675 HA :: 5.078 HB2 :: 2.616 HB3 :: 3.219 HD1 :: 6.932 HD2 :: 6.932 HE1 :: 6.788 HE2 :: 6.788 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 114.712 Ave N Shift Values>> N :: 120.52(4.2) 1.P28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 179.333 CA :: 64.394 CB :: 31.254 CG :: 27.691 CD :: 50.130 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.362 HB2 :: 2.285 HB3 :: 1.939 HG2 :: 1.999 HG3 :: 1.999 HD2 :: 3.414 HD3 :: 3.217 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.G29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.91 L 0.07 C Shift Assignments>> C :: 173.218 CA :: 45.912 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.826 HA2 :: 4.014 HA3 :: 3.861 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.091 Ave N Shift Values>> N :: 109.67(3.87) 1.N30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.87 F 0.04 Y 0.03 L 0.02 C Shift Assignments>> C :: 173.977 CA :: 51.185 CB :: 38.426 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.293 HA :: 4.999 HB2 :: 2.464 HB3 :: 3.095 HD21 :: 7.824 HD22 :: 6.974 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 118.603 ND2 :: 112.728 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Y31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.69 F 0.3 C Shift Assignments>> C :: 177.343 CA :: 61.811 CB :: 38.357 CD2 :: 133.134 CE2 :: 118.383 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.509 HA :: 3.898 HB2 :: 2.981 HB3 :: 3.118 HD1 :: 7.097 HD2 :: 7.097 HE1 :: 6.830 HE2 :: 6.830 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 125.240 Ave N Shift Values>> N :: 120.52(4.2) 1.E32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.46 E 0.43 K 0.06 Q 0.02 HN Overlap>> 1.Q42 1.Q42 C Shift Assignments>> C :: 179.549 CA :: 60.112 CB :: 29.168 CG :: 36.615 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.714 HA :: 3.900 HB2 :: 2.016 HB3 :: 2.158 HG2 :: 2.311 HG3 :: 2.311 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.993 Ave N Shift Values>> N :: 120.67(3.48) 1.Q33 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Q 0.33 K 0.31 R 0.28 M 0.03 E 0.01 C Shift Assignments>> C :: 179.119 CA :: 57.702 CB :: 27.626 CG :: 33.036 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.536 HA :: 3.733 HB2 :: 1.370 HB3 :: 0.867(S) HG2 :: 1.772 HG3 :: 1.772 HE21 :: 6.938 HE22 :: 6.674 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 117.037 NE2 :: 112.107 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.3 K 0.25 R 0.21 P 0.09 I 0.08 E 0.03 M 0.01 C Shift Assignments>> C :: 177.634 CA :: 60.165 CB :: 27.501 CG :: 33.528 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.968 HA :: 3.811 HB2 :: 2.303 HB3 :: 1.922 HG2 :: 3.080 HG3 :: 2.218 HE21 :: 7.764 HE22 :: 6.969 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 117.723 NE2 :: 110.314 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.38 K 0.35 R 0.11 E 0.08 I 0.03 M 0.02 C Shift Assignments>> C :: 178.757 CA :: 58.610 CB :: 28.205 CG :: 33.884 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.870 HA :: 3.791 HB2 :: 2.025 HB3 :: 2.025 HG2 :: 2.016 HG3 :: 2.096 HE21 :: 6.938 HE22 :: 6.837 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 115.293 NE2 :: 114.540 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.A10 1.A10 C Shift Assignments>> C :: 178.273 CA :: 65.236 CB :: 38.373 CG1 :: 29.305 CG2 :: 16.883 CD1 :: 13.355 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.503 HA :: 3.564 HB :: 1.708 HG12 :: 1.014 HG13 :: 1.693 HG21 :: 0.844 HG22 :: 0.844 HG23 :: 0.844 HD11 :: 0.751 HD12 :: 0.751 HD13 :: 0.751 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 120.769 Ave N Shift Values>> N :: 121.46(4.28) 1.L37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.77 R 0.2 A 0.01 C Shift Assignments>> C :: 178.348 CA :: 57.734 CB :: 41.516 CG :: 27.552 CD1 :: 26.765 CD2 :: 22.803 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.678 HA :: 4.309 HB2 :: 2.111 HB3 :: 1.787 HG :: 1.622 HD11 :: 1.100 HD12 :: 1.100 HD13 :: 1.100 HD21 :: 1.157 HD22 :: 1.157 HD23 :: 1.157 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.056 Ave N Shift Values>> N :: 121.86(3.9) 1.I38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 177.371 CA :: 67.085 CB :: 38.349 CG1 :: 30.736 CG2 :: 17.330 CD1 :: 14.241 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.702 HA :: 3.341 HB :: 1.745 HG12 :: 1.858 HG13 :: 0.687 HG21 :: 0.925 HG22 :: 0.925 HG23 :: 0.925 HD11 :: 0.877 HD12 :: 0.877 HD13 :: 0.877 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 119.334 Ave N Shift Values>> N :: 121.46(4.28) 1.R39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.75 G 0.18 K 0.05 C Shift Assignments>> C :: 179.555 CA :: 59.459 CB :: 29.752 CG :: 27.795 CD :: 43.535 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.739 HA :: 4.215 HB2 :: 1.944 HB3 :: 1.944 HG2 :: 1.839 HG3 :: 1.700 HD2 :: 3.222 HD3 :: 3.260 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 117.798 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.Q40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.36 Q 0.36 R 0.09 E 0.09 I 0.05 M 0.02 C Shift Assignments>> C :: 179.522 CA :: 59.260 CB :: 28.358 CG :: 33.888 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.811 HA :: 4.137 HB2 :: 2.426 HB3 :: 2.124 HG2 :: 2.627 HG3 :: 2.341 HE21 :: 7.284 HE22 :: 6.706 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.432 NE2 :: 110.195 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L41 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.97 A 0.02 C Shift Assignments>> C :: 178.974 CA :: 57.963 CB :: 39.852 CG :: 25.745 CD1 :: 25.653 CD2 :: 22.456 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.648 HA :: 3.687 HB2 :: 1.312 HB3 :: -0.253(S) HG :: 1.652 HD11 :: 0.459 HD12 :: 0.459 HD13 :: 0.459 HD21 :: 0.422 HD22 :: 0.422 HD23 :: 0.422 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.592 Ave N Shift Values>> N :: 121.86(3.9) 1.Q42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.36 K 0.31 R 0.12 E 0.09 I 0.07 M 0.01 HN Overlap>> 1.E32 1.E32 C Shift Assignments>> C :: 180.176 CA :: 59.234 CB :: 27.920 CG :: 33.985 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.641 HA :: 4.544 HB2 :: 2.505 HB3 :: 2.219 HG2 :: 2.967 HG3 :: 2.544 HE21 :: 8.290 HE22 :: 6.488 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.054 NE2 :: 110.851 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.49 I 0.26 K 0.13 Q 0.07 M 0.01 HN Overlap>> 1.K67 1.K67 C Shift Assignments>> C :: 179.721 CA :: 59.667 CB :: 29.258 CG :: 35.956 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.111 HA :: 4.236 HB2 :: 2.271 HB3 :: 2.235 HG2 :: 2.467 HG3 :: 2.418 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.517 Ave N Shift Values>> N :: 120.67(3.48) 1.Q44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.3 Q 0.3 E 0.25 I 0.09 R 0.02 M 0.01 C Shift Assignments>> C :: 179.012 CA :: 59.149 CB :: 28.854 CG :: 34.684 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.372 HA :: 4.116 HB2 :: 2.185 HB3 :: 2.253 HG2 :: 2.627 HG3 :: 2.464 HE21 :: 7.276 HE22 :: 6.478 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.240 NE2 :: 109.531 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.H45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.99 C Shift Assignments>> C :: 176.395 CA :: 60.359 CB :: 32.325 CD2 :: 114.858 CE1 :: 137.827 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 9.472 HA :: 4.280 HB2 :: 3.859 HB3 :: 3.593 HD2 :: 6.646 HE1 :: 7.284 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 121.705 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.Y46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 HN Overlap>> 1.A24 1.A24 1.Q62 1.Q62 C Shift Assignments>> C :: 176.664 CA :: 62.251 CB :: 37.672 CD1 :: 133.025 CE1 :: 118.149 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.253 HA :: 3.849 HB2 :: 3.200 HB3 :: 3.325 HD1 :: 6.979 HD2 :: 6.979 HE1 :: 6.796 HE2 :: 6.796 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 119.039 Ave N Shift Values>> N :: 120.52(4.2) 1.Q47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.37 Q 0.35 R 0.15 E 0.04 I 0.03 M 0.02 C Shift Assignments>> C :: 179.048 CA :: 58.949 CB :: 28.181 CG :: 33.470 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.814 HA :: 3.784 HB2 :: 2.213 HB3 :: 2.213 HG2 :: 2.683 HG3 :: 2.611 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 116.407 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.38 Q 0.35 R 0.16 M 0.04 E 0.03 I 0.01 C Shift Assignments>> C :: 177.741 CA :: 58.314 CB :: 28.328 CG :: 33.240 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.645 HA :: 3.977 HB2 :: 2.292 HB3 :: 2.113 HG2 :: 2.717 HG3 :: 2.442 HE21 :: 7.918 HE22 :: 6.873 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.803 NE2 :: 112.462 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Y49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 176.021 CA :: 62.109 CB :: 38.907 CD1 :: 133.041 CE1 :: 117.798 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 9.105 HA :: 3.640 HB2 :: 2.888 HB3 :: 2.360 HD1 :: 6.550 HD2 :: 6.550 HE1 :: 6.912 HE2 :: 6.912 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 121.342 Ave N Shift Values>> N :: 120.52(4.2) 1.M50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.88 A 0.1 C Shift Assignments>> C :: 179.841 CA :: 56.623 CB :: 30.099 CG :: 32.257 CE :: 16.634 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.060 HA :: 4.040 HB2 :: 1.859 HB3 :: 1.744 HG2 :: 2.111 HG3 :: 2.054 HE1 :: 2.027 HE2 :: 2.027 HE3 :: 2.027 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 115.522 Ave N Shift Values>> N :: 120.09(3.57) 1.Q51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.37 Q 0.37 R 0.09 E 0.08 I 0.04 M 0.02 C Shift Assignments>> C :: 178.707 CA :: 58.941 CB :: 28.489 CG :: 33.834 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.830 HA :: 4.065 HB2 :: 2.148 HB3 :: 2.148 HG2 :: 2.390 HG3 :: 2.140 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.942 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.34 K 0.32 E 0.19 I 0.07 R 0.05 M 0.01 C Shift Assignments>> C :: 178.738 CA :: 58.749 CB :: 28.403 CG :: 34.487 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.187 HA :: 4.057 HB2 :: 1.965 HB3 :: 2.034 HG2 :: 2.464 HG3 :: 2.464 HE21 :: 7.548 HE22 :: 6.334 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.210 NE2 :: 110.017 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.79 K 0.19 C Shift Assignments>> C :: 179.191 CA :: 57.745 CB :: 41.866 CG :: 26.456 CD1 :: 24.215 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.441 HA :: 3.841 HB2 :: 1.168 HB3 :: 1.412 HG :: 1.300 HD11 :: 0.761 HD12 :: 0.761 HD13 :: 0.761 HD21 :: 0.761 HD22 :: 0.761 HD23 :: 0.761 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.233 Ave N Shift Values>> N :: 121.86(3.9) 1.Y54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 177.535 CA :: 60.477 CB :: 37.786 CD1 :: 132.998 CE1 :: 118.133 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.819 HA :: 4.318 HB2 :: 3.145 HB3 :: 3.145 HD1 :: 7.117 HD2 :: 7.117 HE1 :: 6.779 HE2 :: 6.779 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 118.505 Ave N Shift Values>> N :: 120.52(4.2) 1.Q55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.37 K 0.35 R 0.1 E 0.09 I 0.04 M 0.02 C Shift Assignments>> C :: 179.041 CA :: 58.709 CB :: 28.215 CG :: 33.936 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.735 HA :: 3.899 HB2 :: 2.198 HB3 :: 2.198 HG2 :: 2.530 HG3 :: 2.552 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 117.299 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.V56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 178.262 CA :: 65.942 CB :: 31.879 CG1 :: 21.060 CG2 :: 22.482 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.014 HA :: 3.792 HB :: 2.201 HG11 :: 0.938 HG12 :: 0.938 HG13 :: 0.938 HG21 :: 1.054 HG22 :: 1.054 HG23 :: 1.054 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.879 Ave N Shift Values>> N :: 121.14(4.54) 1.Q57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.18 I 0.16 Q 0.16 K 0.15 E 0.13 H 0.11 L 0.06 M 0.01 C Shift Assignments>> C :: 178.772 CA :: 58.616 CB :: 27.985 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.103 HA :: 4.060 HB2 :: 2.045 HB3 :: 2.157 HG2 :: 2.521 HG3 :: 2.329 HE21 :: 7.400 HE22 :: 6.793 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.513 NE2 :: 110.743 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.97 HN Overlap>> 1.I7 1.I7 C Shift Assignments>> C :: 179.134 CA :: 57.506 CB :: 41.803 CG :: 26.639 CD1 :: 24.267 CD2 :: 23.770 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.176 HA :: 4.005 HB2 :: 1.495 HB3 :: 1.495 HG :: 1.423 HD11 :: 0.771 HD12 :: 0.771 HD13 :: 0.771 HD21 :: 0.783 HD22 :: 0.783 HD23 :: 0.783 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.244 Ave N Shift Values>> N :: 121.86(3.9) 1.A59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.49 M 0.48 I 0.02 C Shift Assignments>> C :: 180.497 CA :: 54.582 CB :: 18.053 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.833 HA :: 4.165 HB1 :: 1.495 HB2 :: 1.495 HB3 :: 1.495 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.608 Ave N Shift Values>> N :: 123.23(3.54) 1.Q60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.2 Q 0.19 E 0.16 H 0.14 R 0.13 I 0.09 L 0.04 M 0.02 C Shift Assignments>> C :: 178.334 CA :: 57.977 CB :: 28.435 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.081 HA :: 4.148 HB2 :: 2.143 HB3 :: 2.190 HG2 :: 2.565 HG3 :: 2.417 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.335 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.21 Q 0.19 E 0.17 H 0.15 R 0.11 I 0.08 L 0.03 M 0.02 C Shift Assignments>> C :: 178.002 CA :: 57.905 CB :: 28.579 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.111 HA :: 4.162 HB2 :: 2.175 HB3 :: 2.175 HG2 :: 2.515 HG3 :: 2.395 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.206 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.21 Q 0.2 E 0.17 H 0.15 R 0.11 I 0.06 L 0.03 M 0.02 HN Overlap>> 1.A24 1.Y46 1.A24 1.Y46 C Shift Assignments>> C :: 177.624 CA :: 57.636 CB :: 28.636 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.203 HA :: 4.129 HB2 :: 2.111 HB3 :: 2.111 HG2 :: 2.468 HG3 :: 2.417 HE21 :: 7.455 HE22 :: 6.840 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.980 NE2 :: 111.893 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.67 M 0.31 C Shift Assignments>> C :: 178.922 CA :: 53.896 CB :: 18.459 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.004 HA :: 4.206 HB1 :: 1.450 HB2 :: 1.450 HB3 :: 1.450 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.712 Ave N Shift Values>> N :: 123.23(3.54) 1.A64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.74 M 0.24 C Shift Assignments>> C :: 178.732 CA :: 53.516 CB :: 18.630 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.837 HA :: 4.232 HB1 :: 1.455 HB2 :: 1.455 HB3 :: 1.455 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.813 Ave N Shift Values>> N :: 123.23(3.54) 1.L65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.91 R 0.04 A 0.02 G 0.01 HN Overlap>> 1.Q6 1.Q6 C Shift Assignments>> C :: 178.038 CA :: 55.822 CB :: 42.264 CG :: 26.824 CD1 :: 24.846 CD2 :: 23.303 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.765 HA :: 4.257 HB2 :: 1.613 HB3 :: 1.743 HG :: 1.739 HD11 :: 0.926 HD12 :: 0.926 HD13 :: 0.926 HD21 :: 0.884 HD22 :: 0.884 HD23 :: 0.884 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.196 Ave N Shift Values>> N :: 121.86(3.9) 1.Q66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.21 K 0.2 H 0.18 E 0.16 R 0.14 M 0.04 L 0.02 I 0.01 C Shift Assignments>> C :: 176.120 CA :: 56.067 CB :: 29.132 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.967 HA :: 4.275 HB2 :: 2.036 HB3 :: 2.140 HG2 :: 2.417 HG3 :: 2.417 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.365 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.78 R 0.19 G 0.01 HN Overlap>> 1.E43 1.E43 C Shift Assignments>> C :: 176.437 CA :: 56.389 CB :: 33.041 CG :: 24.761 CD :: 29.064 CE :: 42.151 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.053 HA :: 4.309 HB2 :: 1.792 HB3 :: 1.868 HG2 :: 1.455 HG3 :: 1.455 HD2 :: 1.694 HD3 :: 1.694 HE2 :: 3.004 HE3 :: 3.004 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.521 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.2 H 0.19 K 0.17 E 0.16 R 0.16 M 0.06 I 0.01 L 0.01 C Shift Assignments>> C :: 175.120 CA :: 56.000 CB :: 29.498 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.314 HA :: 4.339 HB2 :: 2.012 HB3 :: 2.153 HG2 :: 2.401 HG3 :: 2.401 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 121.970 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.35 E 0.21 M 0.21 K 0.19 C Shift Assignments>> C :: 180.477 CA :: 57.444 CB :: 30.413 CG :: 34.309 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.016 HA :: 4.157 HB2 :: 2.123 HB3 :: 1.941 HG2 :: 2.314 HG3 :: 2.314 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 126.854 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) ########################################################################### Overall Results: #Consistent: 66 #Clerical: 0 #Suspicious: 3 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 68 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 1 Shift Relative Order (SRO) Results: #Consistent: 69 #Suspicious: 0 C Shift Results: #Consistent: 289 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 502 #Duplicate: 0 #Unknown: 0 #Suspicious: 6 #Anomalous: 0 N Shift Results: #Consistent: 83 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.T15 HB = 2.503(S), Expected = 4.17, Std = 0.3300, ChiSquare = 4.3832e-07 1.T15 HG21 = 0.380(S), Expected = 1.14, Std = 0.2300, ChiSquare = 9.5198e-04 1.T15 HG22 = 0.380(S), Expected = 1.14, Std = 0.2300, ChiSquare = 9.5198e-04 1.T15 HG23 = 0.380(S), Expected = 1.14, Std = 0.2300, ChiSquare = 9.5198e-04 1.Q33 HB3 = 0.867(S), Expected = 2.02, Std = 0.2800, ChiSquare = 3.8241e-05 1.L41 HB3 = -0.253(S), Expected = 1.52, Std = 0.3600, ChiSquare = 8.4360e-07