Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.77 L 0.15 R 0.03 C 0.03 C Shift Assignments>> CA :: 44.981 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.673 HA2 :: 4.262 HA3 :: 3.599 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 101.493 Ave N Shift Values>> N :: 109.67(3.87) 1.L2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.6 G 0.25 C 0.12 R 0.02 C Shift Assignments>> CA :: 51.710 CB :: 43.588 CG :: 26.769 CD1 :: 25.248 CD2 :: 22.509 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 :: 7.741 HA :: 5.072 HB2 :: 1.930 HB3 :: 1.509 HG :: 1.703 HD11 :: 0.992 HD12 :: 0.992 HD13 :: 0.992 HD21 :: 0.919 HD22 :: 0.919 HD23 :: 0.919 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 :: 120.410 Ave N Shift Values>> N :: 121.86(3.9) 1.P3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.99 C Shift Assignments>> CA :: 59.444 CB :: 28.104 CG :: 27.502 CD :: 50.336 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 :: 5.078 HB2 :: 2.469 HB3 :: 1.751 HG2 :: 2.180 HG3 :: 2.054 HD2 :: 3.804 HD3 :: 3.804 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.V4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.52 C 0.47 C Shift Assignments>> CA :: 60.484 CB :: 31.248 CG1 :: 21.373 CG2 :: 21.174 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 :: 8.159 HA :: 4.686 HB :: 2.595 HG11 :: 0.876 HG12 :: 0.876 HG13 :: 0.876 HG21 :: 0.858 HG22 :: 0.858 HG23 :: 0.858 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 :: 115.475 Ave N Shift Values>> N :: 121.14(4.54) 1.C5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 P 0.31 G 0.15 C Shift Assignments>> CA :: 59.335 CB :: 49.002 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.046 HA :: 4.458 HB2 :: 3.366 HB3 :: 3.021 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 :: 119.091 Ave N Shift Values>> N :: 120.17(4.64) 1.G6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.89 L 0.06 C 0.04 C Shift Assignments>> CA :: 46.373 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.529 HA2 :: 3.835 HA3 :: 3.744 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.639 Ave N Shift Values>> N :: 109.67(3.87) 1.E7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.98 K 0.01 C Shift Assignments>> CB :: 32.676 CG :: 34.565 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 :: 7.173 HA :: 4.773 HB2 :: 1.966 HB3 :: 1.881 HG2 :: 2.519 HG3 :: 2.476 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 :: 115.043 Ave N Shift Values>> N :: 120.67(3.48) 1.T8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.83 C 0.16 C Shift Assignments>> CA :: 60.185 CB :: 70.658 CG2 :: 21.511 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 :: 8.463 HA :: 4.567 HB :: 4.439 HG21 :: 1.160 HG22 :: 1.160 HG23 :: 1.160 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 :: 114.867 Ave N Shift Values>> N :: 115.42(4.75) 1.C9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.68 C 0.18 L 0.12 C Shift Assignments>> CA :: 54.674 CB :: 47.686 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.325 HA :: 4.936 HB2 :: 3.176 HB3 :: 2.942 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 :: 116.147 Ave N Shift Values>> N :: 120.17(4.64) 1.V10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.88 C 0.11 C Shift Assignments>> CA :: 65.230 CB :: 31.972 CG1 :: 21.089 CG2 :: 21.959 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 :: 8.553 HA :: 3.895 HB :: 2.051 HG11 :: 1.031 HG12 :: 1.031 HG13 :: 1.031 HG21 :: 0.980 HG22 :: 0.980 HG23 :: 0.980 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 :: 123.365 Ave N Shift Values>> N :: 121.14(4.54) 1.G11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.07 C 0.03 C Shift Assignments>> CA :: 45.801 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.753 HA2 :: 4.241 HA3 :: 3.863 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.615 Ave N Shift Values>> N :: 109.67(3.87) 1.G12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.08 C 0.02 C Shift Assignments>> CA :: 45.517 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.285 HA2 :: 4.416 HA3 :: 4.050 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.638 Ave N Shift Values>> N :: 109.67(3.87) 1.T13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.83 C 0.16 C Shift Assignments>> CA :: 60.788 CB :: 71.536 CG2 :: 21.343 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 :: 7.881 HA :: 4.708 HB :: 4.102 HG21 :: 1.151 HG22 :: 1.151 HG23 :: 1.151 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 :: 113.251 Ave N Shift Values>> N :: 115.42(4.75) 1.C14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.72 L 0.19 C 0.04 R 0.02 C Shift Assignments>> CA :: 55.253 CB :: 45.325 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.594 HA :: 4.723 HB2 :: 3.076 HB3 :: 2.732 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 :: 120.668 Ave N Shift Values>> N :: 120.17(4.64) 1.N15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.53 L 0.27 C 0.16 K 0.01 C Shift Assignments>> CA :: 54.280 CB :: 39.909 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 :: 10.007 HA :: 4.700 HB2 :: 2.790 HB3 :: 2.790 HD21 :: 7.654 HD22 :: 6.911 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 :: 123.004 ND2 :: 113.554 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.T16 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>> CA :: 61.904 CB :: 69.373 CG2 :: 21.918 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 :: 8.801 HA :: 4.446 HB :: 4.241 HG21 :: 1.332 HG22 :: 1.332 HG23 :: 1.332 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 :: 121.388 Ave N Shift Values>> N :: 115.42(4.75) 1.P17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.75 C 0.24 C Shift Assignments>> CA :: 64.294 CB :: 31.912 CG :: 27.690 CD :: 51.722 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 :: 4.268 HB2 :: 2.324 HB3 :: 1.913 HG2 :: 2.146 HG3 :: 2.014 HD2 :: 4.173 HD3 :: 3.714 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.G18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.82 L 0.11 C 0.03 R 0.02 C Shift Assignments>> CA :: 45.167 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.776 HA2 :: 4.196 HA3 :: 3.697 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.532 Ave N Shift Values>> N :: 109.67(3.87) 1.C19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.8 P 0.15 G 0.03 C Shift Assignments>> CA :: 58.137 CB :: 49.983 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.687 HA :: 5.283 HB2 :: 3.816 HB3 :: 2.595 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 :: 117.639 Ave N Shift Values>> N :: 120.17(4.64) 1.K20 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Unknown N Shifts: Consistent PRTL>> K 0.5 C 0.44 R 0.04 G 0.01 C Shift Assignments>> CA :: 54.087 CB :: 35.817 CG :: 24.351 CD :: 28.992 CE :: 41.840 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 :: 9.505 HA :: 4.577 HB2 :: 1.773 HB3 :: 1.712 HG2 :: 1.373 HG3 :: 1.373 HD2 :: 1.636 HD3 :: 1.636 HE2 :: 2.958 HE3 :: 2.958 HZ1 :: 7.506(U) HZ2 :: 7.506(U) HZ3 :: 7.506(U) 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 :: 122.881 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.C21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.37 C 0.35 N 0.22 K 0.04 C Shift Assignments>> CA :: 56.350 CB :: 39.907 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.076 HA :: 4.585 HB2 :: 3.074 HB3 :: 2.814 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 :: 121.698 Ave N Shift Values>> N :: 120.17(4.64) 1.S22 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> T 0.3 V 0.28 C 0.16 W 0.07 P 0.07 S 0.03 E 0.02 R 0.02 K 0.02 C Shift Assignments>> CB :: 61.219 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.992 HA :: 4.752 HB2 :: 3.856 HB3 :: 3.856 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 :: 132.476(S) Ave N Shift Values>> N :: 116.28(3.52) 1.W23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.24 W 0.24 E 0.19 R 0.15 K 0.12 V 0.03 C Shift Assignments>> CA :: 59.108 CB :: 29.875 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 :: 8.041 HA :: 4.100 HB2 :: 3.274 HB3 :: 3.274 HD1 :: 7.322 HE1 :: 10.394 HZ2 :: 7.562 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 :: 123.387 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.P24 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> C 0.8 P 0.14 G 0.04 C Shift Assignments>> CA :: 65.061 CB :: 32.093 CG :: 24.070 CD :: 48.967 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 :: 3.460 HB2 :: 1.732 HB3 :: -0.141(S) HG2 :: 1.421 HG3 :: 1.332 HD2 :: 3.264 HD3 :: 3.197 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.V25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 E 0.3 K 0.11 V 0.1 N 0.02 C Shift Assignments>> CB :: 35.222 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 :: 8.222 HA :: 4.233 HB :: 1.948 HG11 :: 0.866 HG12 :: 0.866 HG13 :: 0.866 HG21 :: 0.844 HG22 :: 0.844 HG23 :: 0.844 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 :: 125.543 Ave N Shift Values>> N :: 121.14(4.54) 1.C26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.37 L 0.33 G 0.18 C 0.08 K 0.02 C Shift Assignments>> CA :: 56.784 CB :: 44.002 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.768 HA :: 5.135 HB2 :: 3.232 HB3 :: 2.733 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 :: 123.097 Ave N Shift Values>> N :: 120.17(4.64) 1.T27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.5 C 0.49 C Shift Assignments>> CA :: 62.699 CB :: 72.449 CG2 :: 18.840 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 :: 9.864 HA :: 5.078 HB :: 3.700 HG21 :: 0.887 HG22 :: 0.887 HG23 :: 0.887 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 :: 114.580 Ave N Shift Values>> N :: 115.42(4.75) 1.R28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.72 G 0.18 K 0.09 C Shift Assignments>> CB :: 32.652 CG :: 27.342 CD :: 43.565 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 :: 8.826 HA :: 4.748 HB2 :: 1.692 HB3 :: 1.692 HG2 :: 1.616 HG3 :: 1.415 HD2 :: 3.206 HD3 :: 3.156 HE :: 6.960 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 :: 120.922 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.N29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.54 C 0.27 E 0.14 L 0.02 K 0.01 C Shift Assignments>> CA :: 54.395 CB :: 37.504 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 :: 9.557 HA :: 4.392 HB2 :: 3.091 HB3 :: 2.864 HD21 :: 7.628 HD22 :: 6.978 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 :: 127.725 ND2 :: 113.291 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) ########################################################################### Overall Results: #Consistent: 26 #Clerical: 1 #Suspicious: 2 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 29 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 29 #Suspicious: 0 C Shift Results: #Consistent: 72 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 169 #Duplicate: 0 #Unknown: 3 #Suspicious: 1 #Anomalous: 0 N Shift Results: #Consistent: 27 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 Error Summary: 1.K20 HZ1 = 7.506(U) 1.K20 HZ2 = 7.506(U) 1.K20 HZ3 = 7.506(U) 1.S22 N = 132.476(S), Expected = 116.28, Std = 3.5200, ChiSquare = 4.2019e-06 1.P24 HB3 = -0.141(S), Expected = 2.00, Std = 0.3600, ChiSquare = 2.7273e-09