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.A2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> A 0.91 M 0.05 C 0.01 C Shift Assignments>> C :: 173.423 CA :: 51.798 CB :: 19.502 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> HA :: 4.081 HB1 :: 1.502 HB2 :: 1.502 HB3 :: 1.502 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) 1.L3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.64 C 0.28 R 0.03 G 0.02 HN Overlap>> 1.V25 1.V25 C Shift Assignments>> C :: 176.779 CA :: 55.226 CB :: 42.472 CG :: 27.130 CD1 :: 24.733 CD2 :: 23.951 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 :: 8.547 HA :: 4.394 HB2 :: 1.581 HB3 :: 1.581 HG :: 1.589 HD11 :: 0.912 HD12 :: 0.912 HD13 :: 0.912 HD21 :: 0.879 HD22 :: 0.879 HD23 :: 0.879 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 :: 122.089 Ave N Shift Values>> N :: 121.86(3.9) 1.I4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.66 C 0.33 C Shift Assignments>> C :: 176.138 CA :: 60.894 CB :: 38.595 CG1 :: 27.284 CG2 :: 17.474 CD1 :: 12.685 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 :: 8.319 HA :: 4.167 HB :: 1.835 HG12 :: 1.482 HG13 :: 1.181 HG21 :: 0.883 HG22 :: 0.883 HG23 :: 0.883 HD11 :: 0.839 HD12 :: 0.839 HD13 :: 0.839 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 :: 123.468 Ave N Shift Values>> N :: 121.46(4.28) 1.M5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.47 C 0.32 Q 0.16 K 0.01 E 0.01 C Shift Assignments>> C :: 176.274 CA :: 55.348 CB :: 32.961 CG :: 32.052 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 :: 8.574 HA :: 4.584 HB2 :: 2.086 HB3 :: 2.006 HG2 :: 2.597 HG3 :: 2.511 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 :: 125.527 Ave N Shift Values>> N :: 120.09(3.57) 1.T6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.89 C 0.1 C Shift Assignments>> C :: 174.578 CA :: 61.849 CB :: 69.904 CG2 :: 21.732 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 :: 8.172 HA :: 4.331 HB :: 4.238 HG21 :: 1.193 HG22 :: 1.193 HG23 :: 1.193 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 :: 115.487 Ave N Shift Values>> N :: 115.42(4.75) 1.Q7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.48 C 0.38 E 0.12 C Shift Assignments>> C :: 176.108 CA :: 56.149 CB :: 29.491 CG :: 33.834 CD :: 180.365 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 :: 8.461 HA :: 4.317 HB2 :: 2.104 HB3 :: 1.988 HG2 :: 2.354 HG3 :: 2.352 HE21 :: 7.530 HE22 :: 6.864 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 :: 122.199 NE2 :: 112.418 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.48 C 0.39 E 0.12 C Shift Assignments>> C :: 175.704 CA :: 56.112 CB :: 29.435 CG :: 33.815 CD :: 180.365 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 :: 8.418 HA :: 4.219 HB2 :: 2.057 HB3 :: 1.947 HG2 :: 2.348 HG3 :: 2.348 HE21 :: 7.530 HE22 :: 6.864 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 :: 121.100 NE2 :: 112.418 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.N9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.67 D 0.2 C 0.11 C Shift Assignments>> C :: 174.445 CA :: 53.190 CB :: 38.913 CG :: 176.851 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 :: 8.404 HA :: 4.654 HB2 :: 2.786 HB3 :: 2.738 HD21 :: 7.600 HD22 :: 6.904 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 :: 119.104 ND2 :: 112.703 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.N10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.75 D 0.17 C 0.06 C Shift Assignments>> C :: 174.315 CA :: 51.318 CB :: 38.992 CG :: 177.227 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 :: 8.306 HA :: 4.964 HB2 :: 2.875 HB3 :: 2.766 HD21 :: 7.690 HD22 :: 6.983 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 :: 119.847 ND2 :: 112.535 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.P11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.81 C 0.18 C Shift Assignments>> C :: 177.095 CA :: 64.214 CB :: 32.355 CG :: 27.346 CD :: 50.992 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 :: 4.427 HB2 :: 2.362 HB3 :: 1.897 HG2 :: 2.057 HG3 :: 1.933 HD2 :: 3.822 HD3 :: 3.802 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.L12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.67 C 0.27 A 0.02 R 0.01 C Shift Assignments>> C :: 177.341 CA :: 54.883 CB :: 41.300 CG :: 27.220 CD1 :: 25.299 CD2 :: 23.497 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 :: 8.102 HA :: 4.320 HB2 :: 1.709 HB3 :: 1.606 HG :: 1.604 HD11 :: 0.884 HD12 :: 0.884 HD13 :: 0.884 HD21 :: 0.827 HD22 :: 0.827 HD23 :: 0.827 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 :: 117.525 Ave N Shift Values>> N :: 121.86(3.9) 1.H13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.15 K 0.14 C 0.12 R 0.12 W 0.11 H 0.11 E 0.1 L 0.06 I 0.03 M 0.01 C Shift Assignments>> C :: 175.375 CA :: 56.796 CB :: 28.248 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 :: 8.004 HA :: 4.453 HB2 :: 3.321 HB3 :: 3.292 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 :: 117.833 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.G14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> C :: 173.536 CA :: 45.529 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.530 HA2 :: 3.930 HA3 :: 3.755 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.385 Ave N Shift Values>> N :: 109.67(3.87) 1.I15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.6 C 0.39 C Shift Assignments>> C :: 174.878 CA :: 60.102 CB :: 39.383 CG1 :: 27.849 CG2 :: 16.667 CD1 :: 13.115 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 :: 7.563 HA :: 4.392 HB :: 1.800 HG12 :: 1.435 HG13 :: 1.260 HG21 :: 0.715 HG22 :: 0.715 HG23 :: 0.715 HD11 :: 0.703 HD12 :: 0.703 HD13 :: 0.703 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 :: 120.363 Ave N Shift Values>> N :: 121.46(4.28) 1.T16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.8 C 0.19 C Shift Assignments>> C :: 174.950 CA :: 60.355 CB :: 70.834 CG2 :: 22.021 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 :: 7.643 HA :: 4.381 HB :: 4.706 HG21 :: 1.301 HG22 :: 1.301 HG23 :: 1.301 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 :: 115.980 Ave N Shift Values>> N :: 115.42(4.75) 1.L17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 L 0.43 R 0.01 A 0.01 C Shift Assignments>> C :: 178.125 CA :: 57.582 CB :: 40.906 CG :: 26.805 CD1 :: 22.543 CD2 :: 25.817 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 :: 8.712 HA :: 4.029 HB2 :: 1.727 HB3 :: 1.616 HG :: 1.567 HD11 :: 0.927 HD12 :: 0.927 HD13 :: 0.927 HD21 :: 0.841 HD22 :: 0.841 HD23 :: 0.841 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 :: 123.337 Ave N Shift Values>> N :: 121.86(3.9) 1.Q18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.68 Q 0.3 C Shift Assignments>> C :: 178.211 CA :: 60.388 CB :: 27.809 CG :: 33.229 CD :: 178.977 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 :: 8.611 HA :: 3.774 HB2 :: 2.147 HB3 :: 1.903 HG2 :: 2.298 HG3 :: 2.136 HE21 :: 7.479 HE22 :: 6.867 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 :: 116.423 NE2 :: 111.206 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 K 0.42 R 0.1 G 0.01 C Shift Assignments>> C :: 177.806 CA :: 59.684 CB :: 32.300 CG :: 25.127 CD :: 29.180 CE :: 42.312 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 :: 7.861 HA :: 3.957 HB2 :: 1.885 HB3 :: 1.791 HG2 :: 1.442 HG3 :: 1.391 HD2 :: 1.768 HD3 :: 1.679 HE2 :: 2.994 HE3 :: 2.994 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 :: 123.583 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.76 L 0.15 R 0.07 HN Overlap>> 1.Y69 1.Y69 C Shift Assignments>> C :: 178.417 CA :: 59.301 CB :: 41.370 CG :: 26.297 CD1 :: 27.719 CD2 :: 26.033 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 :: 8.223 HA :: 3.418 HB2 :: 1.350 HB3 :: 1.027 HG :: 1.283 HD11 :: 0.532 HD12 :: 0.532 HD13 :: 0.532 HD21 :: 0.584 HD22 :: 0.584 HD23 :: 0.584 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 :: 121.397 Ave N Shift Values>> N :: 121.86(3.9) 1.L21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 L 0.25 R 0.22 G 0.01 C Shift Assignments>> C :: 178.009 CA :: 58.027 CB :: 42.279 CG :: 26.825 CD1 :: 23.634 CD2 :: 27.357 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 :: 8.649 HA :: 3.872 HB2 :: 1.815 HB3 :: 1.383 HG :: 1.586 HD11 :: 0.928 HD12 :: 0.928 HD13 :: 0.928 HD21 :: 1.103 HD22 :: 1.103 HD23 :: 1.103 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 :: 118.999 Ave N Shift Values>> N :: 121.86(3.9) 1.T22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 C 0.01 HN Overlap>> 1.C41 1.C41 C Shift Assignments>> C :: 176.358 CA :: 67.879 CB :: 68.717 CG2 :: 20.980 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 :: 8.025 HA :: 3.592 HB :: 4.350 HG21 :: 1.205 HG22 :: 1.205 HG23 :: 1.205 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 :: 115.015 Ave N Shift Values>> N :: 115.42(4.75) 1.E23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.3 I 0.21 K 0.07 Q 0.03 C Shift Assignments>> C :: 180.091 CA :: 59.845 CB :: 29.101 CG :: 36.108 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 :: 8.158 HA :: 4.068 HB2 :: 2.315 HB3 :: 2.153 HG2 :: 2.583 HG3 :: 2.299 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 :: 120.691 Ave N Shift Values>> N :: 120.67(3.48) 1.L24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 L 0.3 R 0.19 G 0.03 HN Overlap>> 1.E26 1.E26 C Shift Assignments>> C :: 179.047 CA :: 58.438 CB :: 42.715 CG :: 26.224 CD1 :: 27.286 CD2 :: 24.121 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 :: 8.121 HA :: 4.140 HB2 :: 2.233 HB3 :: 1.469 HG :: 2.294 HD11 :: 1.017 HD12 :: 1.017 HD13 :: 1.017 HD21 :: 1.063 HD22 :: 1.063 HD23 :: 1.063 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 :: 119.210 Ave N Shift Values>> N :: 121.86(3.9) 1.V25 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.9 C 0.09 HN Overlap>> 1.L3 1.L3 C Shift Assignments>> C :: 179.143 CA :: 67.077 CB :: 31.127 CG1 :: 19.761 CG2 :: 21.549 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 :: 8.577 HA :: 2.698 HB :: 1.576 HG11 :: -0.050(S) HG12 :: -0.050(S) HG13 :: -0.050(S) HG21 :: -0.429(S) HG22 :: -0.429(S) HG23 :: -0.429(S) 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 :: 122.036 Ave N Shift Values>> N :: 121.14(4.54) 1.E26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 E 0.3 K 0.12 I 0.11 Q 0.09 M 0.01 HN Overlap>> 1.L24 1.L24 C Shift Assignments>> C :: 177.409 CA :: 59.105 CB :: 29.025 CG :: 35.629 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 :: 8.216 HA :: 3.858 HB2 :: 2.086 HB3 :: 2.000 HG2 :: 2.445 HG3 :: 2.241 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 :: 119.262 Ave N Shift Values>> N :: 120.67(3.48) 1.H27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.16 W 0.16 E 0.13 K 0.12 Q 0.1 H 0.1 R 0.09 I 0.07 M 0.02 V 0.01 C Shift Assignments>> C :: 175.618 CA :: 58.932 CB :: 29.358 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 :: 7.815 HA :: 4.183 HB2 :: 3.108 HB3 :: 2.658 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 :: 114.100 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.Y28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.73 C 0.26 C Shift Assignments>> C :: 177.445 CA :: 60.294 CB :: 40.851 CD1 :: 133.125 CD2 :: 133.125 CE1 :: 118.410 CE2 :: 118.426 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 :: 8.628 HA :: 4.424 HB2 :: 3.032 HB3 :: 2.763 HD1 :: 7.289 HD2 :: 7.289 HE1 :: 6.762 HE2 :: 6.762 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 :: 113.706 Ave N Shift Values>> N :: 120.52(4.2) 1.G29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.38 L 0.27 R 0.19 C 0.04 F 0.03 D 0.03 Y 0.02 C Shift Assignments>> C :: 172.549 CA :: 44.258 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.713 HA2 :: 4.366 HA3 :: 3.846 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.840 Ave N Shift Values>> N :: 109.67(3.87) 1.W30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.53 C 0.46 C Shift Assignments>> C :: 178.090 CA :: 60.502 CB :: 30.304 CD1 :: 128.033 CE3 :: 119.895 CZ2 :: 113.537 CZ3 :: 122.138 CH2 :: 123.758 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 7.960 HA :: 4.136 HB2 :: 3.427 HB3 :: 2.980 HD1 :: 7.315 HE1 :: 10.013 HE3 :: 7.053 HZ2 :: 7.212 HZ3 :: 6.793 HH2 :: 6.582 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 118.175 NE1 :: 128.490 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.E31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 I 0.25 E 0.23 K 0.08 Q 0.04 C Shift Assignments>> C :: 179.942 CA :: 60.090 CB :: 28.474 CG :: 35.859 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 :: 8.549 HA :: 3.992 HB2 :: 2.148 HB3 :: 2.035 HG2 :: 2.361 HG3 :: 2.300 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 :: 118.099 Ave N Shift Values>> N :: 120.67(3.48) 1.E32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 Q 0.21 K 0.19 E 0.13 I 0.06 R 0.04 C Shift Assignments>> C :: 179.651 CA :: 58.745 CB :: 28.145 CG :: 34.631 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 :: 8.962 HA :: 4.137 HB2 :: 2.206 HB3 :: 2.044 HG2 :: 2.545 HG3 :: 2.499 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 :: 120.094 Ave N Shift Values>> N :: 120.67(3.48) 1.L33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 C 0.44 C Shift Assignments>> C :: 178.833 CA :: 58.577 CB :: 41.269 CG :: 26.866 CD1 :: 24.965 CD2 :: 24.446 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 :: 7.748 HA :: 3.922 HB2 :: 1.489 HB3 :: 1.249 HG :: 1.503 HD11 :: 0.358 HD12 :: 0.358 HD13 :: 0.358 HD21 :: 0.450 HD22 :: 0.450 HD23 :: 0.450 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 :: 118.890 Ave N Shift Values>> N :: 121.86(3.9) 1.S34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.346 CA :: 61.247 CB :: 63.043 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.607 HA :: 4.642 HB2 :: 4.147 HB3 :: 3.935 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 :: 114.464 Ave N Shift Values>> N :: 116.28(3.52) 1.Y35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.59 C 0.4 C Shift Assignments>> C :: 177.940 CA :: 58.907 CB :: 37.852 CD1 :: 132.851 CD2 :: 132.851 CE1 :: 118.212 CE2 :: 118.212 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 :: 7.395 HA :: 4.537 HB2 :: 3.209 HB3 :: 3.145 HD1 :: 7.125 HD2 :: 7.125 HE1 :: 6.770 HE2 :: 6.770 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 :: 120.804 Ave N Shift Values>> N :: 120.52(4.2) 1.M36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 M 0.4 C Shift Assignments>> C :: 177.049 CA :: 58.684 CB :: 34.927 CG :: 32.481 CE :: 16.613 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 :: 7.840 HA :: 4.158 HB2 :: 2.177 HB3 :: 2.070 HG2 :: 2.810 HG3 :: 2.440 HE1 :: 1.478 HE2 :: 1.478 HE3 :: 1.478 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 :: 118.425 Ave N Shift Values>> N :: 120.09(3.57) 1.V37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.62 C 0.37 C Shift Assignments>> C :: 173.959 CA :: 61.621 CB :: 32.527 CG1 :: 21.873 CG2 :: 21.286 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 :: 8.469 HA :: 4.265 HB :: 2.380 HG11 :: 0.865 HG12 :: 0.865 HG13 :: 0.865 HG21 :: 0.939 HG22 :: 0.939 HG23 :: 0.939 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 :: 117.997 Ave N Shift Values>> N :: 121.14(4.54) 1.N38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.64 C 0.25 D 0.08 E 0.01 C Shift Assignments>> C :: 174.710 CA :: 53.444 CB :: 37.001 CG :: 177.822 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 :: 8.677 HA :: 4.948 HB2 :: 3.072 HB3 :: 2.714 HD21 :: 7.547 HD22 :: 6.828 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 :: 123.121 ND2 :: 111.035 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.I39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 I 0.39 A 0.01 C Shift Assignments>> C :: 176.996 CA :: 59.201 CB :: 40.558 CG1 :: 24.728 CG2 :: 19.087 CD1 :: 13.775 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 :: 7.744 HA :: 4.655 HB :: 1.335 HG12 :: 0.789 HG13 :: 0.596 HG21 :: 0.770 HG22 :: 0.770 HG23 :: 0.770 HD11 :: -0.118 HD12 :: -0.118 HD13 :: -0.118 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 :: 115.722 Ave N Shift Values>> N :: 121.46(4.28) 1.N40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 N 0.31 D 0.06 C Shift Assignments>> C :: 177.705 CA :: 56.883 CB :: 38.313 CG :: 175.764 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 :: 8.881 HA :: 4.192 HB2 :: 2.665 HB3 :: 2.590 HD21 :: 7.613 HD22 :: 6.927 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 :: 124.600 ND2 :: 112.872 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.C41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.24 I 0.18 R 0.16 K 0.14 L 0.09 W 0.05 Q 0.05 H 0.03 E 0.02 HN Overlap>> 1.T22 1.T22 C Shift Assignments>> C :: 174.303 CA :: 59.164 CB :: 26.126 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.034 HA :: 4.373 HB2 :: 3.064 HB3 :: 2.402 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 115.097 Ave N Shift Values>> N :: 120.17(4.64) 1.F42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.66 C 0.33 C Shift Assignments>> C :: 174.437 CA :: 54.439 CB :: 38.059 CD1 :: 131.037 CD2 :: 131.037 CE1 :: 130.957 CE2 :: 130.957 CZ :: 127.988 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 :: 7.031 HA :: 4.937 HB2 :: 3.587 HB3 :: 3.146 HD1 :: 7.401 HD2 :: 7.401 HE1 :: 7.202 HE2 :: 7.202 HZ :: 7.000 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 :: 117.304 Ave N Shift Values>> N :: 120.45(4.18) 1.K43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 K 0.41 R 0.14 C Shift Assignments>> C :: 175.800 CA :: 57.474 CB :: 34.978 CG :: 25.154 CD :: 29.329 CE :: 42.162 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 :: 7.371 HA :: 4.304 HB2 :: 1.843 HB3 :: 1.780 HG2 :: 1.532 HG3 :: 1.408 HD2 :: 1.660 HD3 :: 1.660 HE2 :: 2.899 HE3 :: 2.858 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 :: 116.029 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.51 C 0.33 R 0.13 C Shift Assignments>> C :: 173.608 CA :: 55.169 CB :: 33.123 CG :: 24.662 CD :: 28.834 CE :: 42.164 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 :: 7.593 HA :: 4.302 HB2 :: 1.629 HB3 :: 1.517 HG2 :: 1.247 HG3 :: 1.226 HD2 :: 1.580 HD3 :: 1.567 HE2 :: 2.909 HE3 :: 2.909 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 :: 119.851 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 N 0.23 L 0.15 F 0.1 Y 0.08 C 0.06 K 0.02 C Shift Assignments>> C :: 172.128 CA :: 53.963 CB :: 40.263 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.774 HA :: 4.200 HB2 :: 2.672 HB3 :: 2.450 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 122.276 Ave N Shift Values>> N :: 120.65(3.86) 1.P46 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.72 C 0.27 C Shift Assignments>> C :: 176.968 CA :: 62.964 CB :: 30.892 CG :: 27.129 CD :: 50.513 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 :: 3.930 HB2 :: 1.097 HB3 :: -0.583(S) HG2 :: 1.072 HG3 :: 0.854 HD2 :: 3.163 HD3 :: 2.877 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.S47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.89 T 0.1 C Shift Assignments>> C :: 175.465 CA :: 57.014 CB :: 66.436 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.018 HA :: 4.676 HB2 :: 4.156 HB3 :: 3.926 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 :: 112.273 Ave N Shift Values>> N :: 116.28(3.52) 1.I48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.73 C 0.26 C Shift Assignments>> C :: 177.681 CA :: 64.456 CB :: 36.382 CG1 :: 28.117 CG2 :: 16.895 CD1 :: 10.799 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 :: 9.489 HA :: 4.013 HB :: 2.276 HG12 :: 1.892 HG13 :: 1.685 HG21 :: 0.966 HG22 :: 0.966 HG23 :: 0.966 HD11 :: 0.878 HD12 :: 0.878 HD13 :: 0.878 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 :: 126.826 Ave N Shift Values>> N :: 121.46(4.28) 1.K49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 K 0.42 R 0.06 C Shift Assignments>> C :: 179.784 CA :: 60.562 CB :: 32.533 CG :: 25.149 CD :: 29.491 CE :: 42.119 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 :: 8.735 HA :: 3.984 HB2 :: 1.936 HB3 :: 1.798 HG2 :: 1.572 HG3 :: 1.402 HD2 :: 1.720 HD3 :: 1.721 HE2 :: 3.011 HE3 :: 3.011 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 :: 118.592 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 178.135 CA :: 61.431 CB :: 62.672 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.065 HA :: 4.270 HB2 :: 3.979 HB3 :: 3.903 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 :: 114.354 Ave N Shift Values>> N :: 116.28(3.52) 1.S51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.95 T 0.04 HN Overlap>> 1.E77 1.E77 C Shift Assignments>> C :: 176.245 CA :: 63.327 CB :: 64.340 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.300 HA :: 4.681 HB2 :: 4.459 HB3 :: 3.880 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 :: 120.855 Ave N Shift Values>> N :: 116.28(3.52) 1.L52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 C 0.43 R 0.02 C Shift Assignments>> C :: 178.339 CA :: 58.600 CB :: 41.685 CG :: 26.393 CD1 :: 25.861 CD2 :: 23.558 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 :: 8.849 HA :: 3.902 HB2 :: 1.928 HB3 :: 1.510 HG :: 1.931 HD11 :: 0.859 HD12 :: 0.859 HD13 :: 0.859 HD21 :: 0.771 HD22 :: 0.771 HD23 :: 0.771 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 :: 122.627 Ave N Shift Values>> N :: 121.86(3.9) 1.K53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 K 0.43 R 0.08 C Shift Assignments>> C :: 178.750 CA :: 59.867 CB :: 32.475 CG :: 25.150 CD :: 29.595 CE :: 42.109 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 :: 7.268 HA :: 3.957 HB2 :: 1.954 HB3 :: 1.950 HG2 :: 1.621 HG3 :: 1.428 HD2 :: 1.736 HD3 :: 1.736 HE2 :: 2.995 HE3 :: 2.995 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 :: 117.100 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.71 C 0.28 C Shift Assignments>> C :: 178.975 CA :: 61.515 CB :: 39.619 CD1 :: 131.919 CD2 :: 131.919 CE1 :: 131.528 CE2 :: 131.528 CZ :: 130.511 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 :: 7.388 HA :: 4.167 HB2 :: 3.268 HB3 :: 3.152 HD1 :: 7.015 HD2 :: 7.015 HE1 :: 7.056 HE2 :: 7.056 HZ :: 7.343 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 :: 117.704 Ave N Shift Values>> N :: 120.45(4.18) 1.L55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 L 0.33 R 0.21 G 0.03 C Shift Assignments>> C :: 178.763 CA :: 57.656 CB :: 42.837 CG :: 26.826 CD1 :: 27.046 CD2 :: 22.501 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 :: 9.142 HA :: 3.720 HB2 :: 1.990 HB3 :: 1.074 HG :: 2.161 HD11 :: 0.989 HD12 :: 0.989 HD13 :: 0.989 HD21 :: 0.611 HD22 :: 0.611 HD23 :: 0.611 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 :: 120.396 Ave N Shift Values>> N :: 121.86(3.9) 1.R56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 R 0.29 G 0.11 K 0.05 C Shift Assignments>> C :: 176.697 CA :: 59.452 CB :: 30.239 CG :: 28.794 CD :: 43.624 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 :: 8.338 HA :: 3.855 HB2 :: 1.839 HB3 :: 1.839 HG2 :: 1.817 HG3 :: 1.630 HD2 :: 3.144 HD3 :: 3.129 HE :: 7.332 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 :: 116.866 NE :: 85.431 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.K57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.52 C 0.39 R 0.06 C Shift Assignments>> C :: 176.148 CA :: 55.545 CB :: 33.805 CG :: 24.157 CD :: 29.226 CE :: 42.135 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 :: 6.770 HA :: 4.542 HB2 :: 1.797 HB3 :: 1.737 HG2 :: 1.489 HG3 :: 1.299 HD2 :: 1.633 HD3 :: 1.634 HE2 :: 2.949 HE3 :: 2.949 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 :: 113.205 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T58 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> T 0.75 C 0.21 S 0.03 C Shift Assignments>> C :: 173.643 CA :: 60.688 CB :: 67.557 CG2 :: 21.687 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 :: 6.908 HA :: 4.212 HB :: 3.053(S) HG21 :: 0.507 HG22 :: 0.507 HG23 :: 0.507 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 :: 117.915 Ave N Shift Values>> N :: 115.42(4.75) 1.D59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.3 F 0.29 C 0.15 I 0.14 L 0.04 D 0.03 C Shift Assignments>> C :: 178.565 CA :: 58.506 CB :: 39.530 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.789 HA :: 4.128 HB2 :: 2.789 HB3 :: 2.723 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 128.511 Ave N Shift Values>> N :: 120.65(3.86) 1.W60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 W 0.48 C Shift Assignments>> C :: 178.277 CA :: 59.183 CB :: 26.962 CD1 :: 128.285 CE3 :: 120.196 CZ2 :: 114.828 CZ3 :: 121.288 CH2 :: 125.054 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.638 HA :: 4.375 HB2 :: 3.478 HB3 :: 3.296 HD1 :: 7.559 HE1 :: 10.477 HE3 :: 7.254 HZ2 :: 7.610 HZ3 :: 6.994 HH2 :: 7.174 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 117.515 NE1 :: 131.294 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.A61 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.47 A 0.47 I 0.02 C 0.01 C Shift Assignments>> C :: 177.616 CA :: 54.478 CB :: 17.904 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 5.533(S) HA :: 3.414 HB1 :: 0.262(S) HB2 :: 0.262(S) HB3 :: 0.262(S) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.465 Ave N Shift Values>> N :: 123.23(3.54) 1.R62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 R 0.26 G 0.07 K 0.05 C Shift Assignments>> C :: 177.918 CA :: 60.708 CB :: 29.156 CG :: 28.615 CD :: 43.011 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 :: 7.811 HA :: 3.617 HB2 :: 2.122 HB3 :: 1.868 HG2 :: 1.471 HG3 :: 1.314 HD2 :: 3.250 HD3 :: 2.983 HE :: 7.568 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 :: 120.420 NE :: 84.157 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.E63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 E 0.25 I 0.14 K 0.13 Q 0.1 C Shift Assignments>> C :: 178.935 CA :: 59.509 CB :: 28.759 CG :: 35.458 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 :: 8.412 HA :: 4.041 HB2 :: 2.142 HB3 :: 2.142 HG2 :: 2.499 HG3 :: 2.362 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 :: 117.144 Ave N Shift Values>> N :: 120.67(3.48) 1.R64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 R 0.43 G 0.06 K 0.03 C Shift Assignments>> C :: 179.133 CA :: 59.340 CB :: 30.067 CG :: 27.420 CD :: 43.343 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 :: 7.603 HA :: 4.256 HB2 :: 2.211 HB3 :: 2.021 HG2 :: 2.073 HG3 :: 2.034 HD2 :: 3.479 HD3 :: 3.479 HE :: 7.573 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 :: 118.298 NE :: 84.020 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.V65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.86 C 0.13 C Shift Assignments>> C :: 177.638 CA :: 66.891 CB :: 31.480 CG1 :: 21.925 CG2 :: 23.844 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 :: 8.065 HA :: 3.713 HB :: 2.255 HG11 :: 0.951 HG12 :: 0.951 HG13 :: 0.951 HG21 :: 1.205 HG22 :: 1.205 HG23 :: 1.205 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 :: 117.270 Ave N Shift Values>> N :: 121.14(4.54) 1.E66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 I 0.26 E 0.24 K 0.07 Q 0.03 C Shift Assignments>> C :: 178.380 CA :: 60.256 CB :: 28.691 CG :: 35.936 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 :: 8.583 HA :: 3.912 HB2 :: 2.333 HB3 :: 1.976 HG2 :: 2.602 HG3 :: 2.097 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 :: 119.924 Ave N Shift Values>> N :: 120.67(3.48) 1.N67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 N 0.33 D 0.12 C Shift Assignments>> C :: 178.338 CA :: 56.900 CB :: 38.802 CG :: 176.088 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 :: 8.267 HA :: 4.567 HB2 :: 3.068 HB3 :: 2.875 HD21 :: 7.668 HD22 :: 7.065 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 :: 117.574 ND2 :: 112.417 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.I68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.86 C 0.13 HN Overlap>> 1.R78 1.R78 C Shift Assignments>> C :: 178.722 CA :: 65.388 CB :: 37.841 CG1 :: 28.945 CG2 :: 18.681 CD1 :: 14.572 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 :: 8.132 HA :: 3.726 HB :: 2.046 HG12 :: 1.873 HG13 :: 1.181 HG21 :: 0.926 HG22 :: 0.926 HG23 :: 0.926 HD11 :: 0.780 HD12 :: 0.780 HD13 :: 0.780 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 :: 121.125 Ave N Shift Values>> N :: 121.46(4.28) 1.Y69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.72 C 0.27 HN Overlap>> 1.L20 1.L20 C Shift Assignments>> C :: 177.061 CA :: 62.828 CB :: 38.747 CD1 :: 132.758 CD2 :: 132.758 CE1 :: 118.217 CE2 :: 118.217 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 :: 8.146 HA :: 4.058 HB2 :: 3.343 HB3 :: 2.968 HD1 :: 6.858 HD2 :: 6.858 HE1 :: 6.762 HE2 :: 6.762 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 :: 121.378 Ave N Shift Values>> N :: 120.52(4.2) 1.L70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 C 0.42 R 0.02 C Shift Assignments>> C :: 179.755 CA :: 58.230 CB :: 41.733 CG :: 27.112 CD1 :: 25.134 CD2 :: 23.548 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 :: 8.630 HA :: 3.875 HB2 :: 1.984 HB3 :: 1.612 HG :: 1.923 HD11 :: 0.982 HD12 :: 0.982 HD13 :: 0.982 HD21 :: 0.941 HD22 :: 0.941 HD23 :: 0.941 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 :: 120.179 Ave N Shift Values>> N :: 121.86(3.9) 1.K71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 K 0.41 R 0.11 C Shift Assignments>> C :: 178.961 CA :: 59.684 CB :: 32.421 CG :: 25.527 CD :: 29.368 CE :: 42.111 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 :: 7.950 HA :: 3.957 HB2 :: 1.915 HB3 :: 1.915 HG2 :: 1.632 HG3 :: 1.437 HD2 :: 1.691 HD3 :: 1.691 HE2 :: 2.995 HE3 :: 2.995 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 :: 118.820 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 C 0.42 C Shift Assignments>> C :: 178.533 CA :: 57.352 CB :: 41.406 CG :: 26.496 CD1 :: 22.851 CD2 :: 24.885 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 :: 7.731 HA :: 4.037 HB2 :: 1.764 HB3 :: 1.543 HG :: 1.292 HD11 :: 0.336 HD12 :: 0.336 HD13 :: 0.336 HD21 :: 0.469 HD22 :: 0.469 HD23 :: 0.469 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 :: 121.367 Ave N Shift Values>> N :: 121.86(3.9) 1.Q73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.49 C 0.48 E 0.01 C Shift Assignments>> C :: 177.679 CA :: 57.026 CB :: 28.148 CG :: 33.172 CD :: 179.365 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 :: 7.884 HA :: 3.852 HB2 :: 2.033 HB3 :: 1.822 HG2 :: 2.068 HG3 :: 2.013 HE21 :: 6.245 HE22 :: 6.868 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 :: 116.639 NE2 :: 112.425 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.R74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.45 C 0.41 G 0.08 K 0.04 C Shift Assignments>> C :: 177.235 CA :: 57.452 CB :: 30.308 CG :: 27.493 CD :: 43.543 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 :: 7.725 HA :: 4.136 HB2 :: 1.821 HB3 :: 1.811 HG2 :: 1.712 HG3 :: 1.614 HD2 :: 3.157 HD3 :: 3.157 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 :: 118.122 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.H75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.16 K 0.15 C 0.12 H 0.12 W 0.12 E 0.11 R 0.1 L 0.04 I 0.02 M 0.02 C Shift Assignments>> C :: 175.202 CA :: 56.587 CB :: 28.477 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 :: 7.982 HA :: 4.564 HB2 :: 3.339 HB3 :: 3.224 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 :: 117.995 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.K76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.45 C 0.43 R 0.1 C Shift Assignments>> C :: 177.303 CA :: 57.550 CB :: 32.789 CG :: 25.005 CD :: 29.288 CE :: 42.065 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 :: 8.180 HA :: 4.148 HB2 :: 1.804 HB3 :: 1.756 HG2 :: 1.446 HG3 :: 1.371 HD2 :: 1.612 HD3 :: 1.612 HE2 :: 2.915 HE3 :: 2.915 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 :: 121.510 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.34 C 0.29 Q 0.13 K 0.12 M 0.07 I 0.02 HN Overlap>> 1.S51 1.S51 C Shift Assignments>> C :: 177.067 CA :: 56.991 CB :: 29.841 CG :: 35.673 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 :: 8.321 HA :: 4.224 HB2 :: 2.066 HB3 :: 2.001 HG2 :: 2.363 HG3 :: 2.303 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 :: 120.860 Ave N Shift Values>> N :: 120.67(3.48) 1.R78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.47 C 0.4 G 0.07 K 0.04 HN Overlap>> 1.I68 1.I68 C Shift Assignments>> C :: 176.577 CA :: 56.786 CB :: 30.413 CG :: 27.196 CD :: 43.468 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 :: 8.228 HA :: 4.240 HB2 :: 1.867 HB3 :: 1.800 HG2 :: 1.660 HG3 :: 1.636 HD2 :: 3.168 HD3 :: 3.168 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 :: 121.081 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.N79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.63 D 0.2 C 0.15 C Shift Assignments>> C :: 175.605 CA :: 53.938 CB :: 38.748 CG :: 176.851 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 :: 8.333 HA :: 4.617 HB2 :: 2.819 HB3 :: 2.758 HD21 :: 7.603 HD22 :: 6.907 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 :: 118.880 ND2 :: 112.739 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Q80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.47 C 0.4 E 0.12 C Shift Assignments>> C :: 176.304 CA :: 56.545 CB :: 29.274 CG :: 33.824 CD :: 180.365 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 :: 8.285 HA :: 4.253 HB2 :: 2.102 HB3 :: 1.979 HG2 :: 2.358 HG3 :: 2.357 HE21 :: 7.530 HE22 :: 6.864 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 :: 120.222 NE2 :: 112.418 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.62 C 0.3 R 0.03 A 0.01 G 0.01 C Shift Assignments>> C :: 177.542 CA :: 55.736 CB :: 42.196 CG :: 26.989 CD1 :: 25.001 CD2 :: 23.353 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 :: 8.130 HA :: 4.222 HB2 :: 1.617 HB3 :: 1.513 HG :: 1.586 HD11 :: 0.887 HD12 :: 0.887 HD13 :: 0.887 HD21 :: 0.820 HD22 :: 0.820 HD23 :: 0.820 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 :: 122.119 Ave N Shift Values>> N :: 121.86(3.9) 1.E82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.35 C 0.29 Q 0.12 K 0.1 M 0.09 I 0.01 C Shift Assignments>> C :: 176.340 CA :: 56.538 CB :: 30.082 CG :: 35.694 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 :: 8.133 HA :: 4.168 HB2 :: 1.884 HB3 :: 1.884 HG2 :: 2.245 HG3 :: 2.171 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 :: 120.411 Ave N Shift Values>> N :: 120.67(3.48) 1.H83 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H84 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H85 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H86 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H87 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H88 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable ########################################################################### Overall Results: #Consistent: 84 #Clerical: 0 #Suspicious: 4 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 81 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 7 Shift Relative Order (SRO) Results: #Consistent: 88 #Suspicious: 0 C Shift Results: #Consistent: 399 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 619 #Duplicate: 0 #Unknown: 0 #Suspicious: 12 #Anomalous: 0 N Shift Results: #Consistent: 94 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.V25 HG11 = -0.050(S), Expected = 0.83, Std = 0.2600, ChiSquare = 7.1278e-04 1.V25 HG12 = -0.050(S), Expected = 0.83, Std = 0.2600, ChiSquare = 7.1278e-04 1.V25 HG13 = -0.050(S), Expected = 0.83, Std = 0.2600, ChiSquare = 7.1278e-04 1.V25 HG21 = -0.429(S), Expected = 0.80, Std = 0.2800, ChiSquare = 1.1372e-05 1.V25 HG22 = -0.429(S), Expected = 0.80, Std = 0.2800, ChiSquare = 1.1372e-05 1.V25 HG23 = -0.429(S), Expected = 0.80, Std = 0.2800, ChiSquare = 1.1372e-05 1.P46 HB3 = -0.583(S), Expected = 2.00, Std = 0.3600, ChiSquare = 7.2307e-13 1.T58 HB = 3.053(S), Expected = 4.17, Std = 0.3300, ChiSquare = 7.1218e-04 1.A61 H = 5.533(S), Expected = 8.20, Std = 0.6000, ChiSquare = 8.7892e-06 1.A61 HB1 = 0.262(S), Expected = 1.35, Std = 0.2600, ChiSquare = 2.8565e-05 1.A61 HB2 = 0.262(S), Expected = 1.35, Std = 0.2600, ChiSquare = 2.8565e-05 1.A61 HB3 = 0.262(S), Expected = 1.35, Std = 0.2600, ChiSquare = 2.8565e-05