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: Indeterminable PRTL>> R 0.42 L 0.32 D 0.08 K 0.07 G 0.04 C 0.03 I 0.01 C Shift Assignments>> CA :: 43.050 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> HA2 :: 3.849 HA3 :: 3.849 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 1.N2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 I 0.35 D 0.07 L 0.06 E 0.04 N 0.03 C Shift Assignments>> CA :: 58.312 CB :: 38.880 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 :: 8.723 HA :: 4.739 HB2 :: 2.806 HB3 :: 2.701 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 :: 118.783 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.46 C 0.34 R 0.15 E 0.02 C Shift Assignments>> CA :: 55.308 CB :: 28.720 CG :: 33.083 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 :: 8.559 HA :: 4.442 HB2 :: 2.130 HB3 :: 1.955 HG2 :: 2.442 HG3 :: 2.442 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 :: 121.681 Ave N Shift Values>> N :: 120.67(3.48) 1.C4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.32 D 0.24 K 0.18 R 0.15 C 0.05 N 0.02 C Shift Assignments>> CA :: 54.668 CB :: 42.340 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.234 HA :: 4.774 HB2 :: 2.967 HB3 :: 3.162 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 :: 119.437 Ave N Shift Values>> N :: 120.17(4.64) 1.I5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.55 C 0.44 C Shift Assignments>> CA :: 62.033 CB :: 38.748 CG1 :: 27.097 CG2 :: 20.408 CD1 :: 13.885 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 :: 8.930 HA :: 3.941 HB :: 1.717 HG12 :: 0.960 HG13 :: 1.514 HG21 :: 0.984 HG22 :: 0.984 HG23 :: 0.984 HD11 :: 0.879 HD12 :: 0.879 HD13 :: 0.879 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 :: 122.727 Ave N Shift Values>> N :: 121.46(4.28) 1.R6 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Anomalous PRTL>> C 0.53 K 0.18 R 0.15 G 0.11 C Shift Assignments>> CA :: 55.958 CB :: 31.704 CG :: 29.924 CD :: 43.487 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 :: 7.553 HA :: 3.876 HB2 :: 1.683 HB3 :: 1.957 HG2 :: 1.793 HG3 :: 1.793 HD2 :: 3.200 HD3 :: 3.200 HE :: 7.206 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 :: 125.909 NE :: 117.340(A) 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.K7 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.68 K 0.3 R 0.01 C Shift Assignments>> CA :: 58.493 CB :: 32.467 CG :: 23.044 CD :: 29.381 CE :: 40.902 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 :: 7.546 HA :: 3.292 HB2 :: 1.250 HB3 :: 1.142 HG2 :: 0.173(S) HG3 :: 0.598 HD2 :: 1.191 HD3 :: 1.259 HE2 :: 2.573 HE3 :: 2.510 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 :: 116.425 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.W8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.23 C 0.19 W 0.13 L 0.12 K 0.1 I 0.1 E 0.09 C Shift Assignments>> CA :: 57.809 CB :: 27.555 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 :: 9.337 HA :: 4.329 HB2 :: 3.745 HB3 :: 3.501 HD1 :: 7.112 HE1 :: 10.264 HE3 :: 7.547 HZ2 :: 7.512 HZ3 :: 7.121 HH2 :: 7.251 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 :: 115.179 NE1 :: 127.647 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.L9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.61 C 0.31 K 0.05 G 0.01 C Shift Assignments>> CA :: 53.972 CB :: 42.017 CG :: 27.185 CD1 :: 22.408 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 :: 7.739 HA :: 4.677 HB2 :: 1.991 HB3 :: 1.475 HG :: 1.554 HD11 :: 0.920 HD12 :: 0.920 HD13 :: 0.920 HD21 :: 0.888 HD22 :: 0.888 HD23 :: 0.888 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 :: 120.679 Ave N Shift Values>> N :: 121.86(3.9) 1.S10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 58.314 CB :: 63.763 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.081 HA :: 4.733 HB2 :: 4.004 HB3 :: 3.814 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 :: 110.764 Ave N Shift Values>> N :: 116.28(3.52) 1.C11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.57 L 0.26 R 0.07 C 0.05 D 0.03 C Shift Assignments>> CA :: 54.910 CB :: 44.935 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.258 HA :: 4.921 HB2 :: 3.421 HB3 :: 3.218 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 :: 120.129 Ave N Shift Values>> N :: 120.17(4.64) 1.V12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.84 C 0.15 C Shift Assignments>> CA :: 64.608 CB :: 32.248 CG1 :: 22.135 CG2 :: 20.499 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 :: 7.808 HA :: 3.738 HB :: 1.889 HG11 :: 1.131 HG12 :: 1.131 HG13 :: 1.131 HG21 :: 0.935 HG22 :: 0.935 HG23 :: 0.935 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) 1.D13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> D 0.31 N 0.3 C 0.18 L 0.15 I 0.03 C Shift Assignments>> CA :: 55.364 CB :: 39.354 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 :: 8.771 HA :: 4.462 HB2 :: 2.964 HB3 :: 2.880 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) 1.R14 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Anomalous PRTL>> C 0.75 G 0.2 K 0.02 C Shift Assignments>> CA :: 55.308 CB :: 31.811 CG :: 31.645(S) CD :: 43.553 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 :: 7.936 HA :: 4.474 HB2 :: 1.594 HB3 :: 1.521 HG2 :: 2.068 HG3 :: 2.068 HD2 :: 3.209 HD3 :: 3.134 HE :: 7.353 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>> NE :: 117.253(A) 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.K15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 K 0.46 R 0.06 C Shift Assignments>> CA :: 58.657 CB :: 32.577 CG :: 24.372 CD :: 29.169 CE :: 41.720 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 :: 7.971 HA :: 4.354 HB2 :: 1.826 HB3 :: 1.764 HG2 :: 1.444 HG3 :: 1.356 HD2 :: 1.650 HD3 :: 1.650 HE2 :: 2.988 HE3 :: 2.988 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 :: 118.342 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.66 D 0.16 C 0.11 L 0.04 C Shift Assignments>> CA :: 52.797 CB :: 38.561 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 :: 8.495 HA :: 4.976 HB2 :: 3.000 HB3 :: 2.684 HD21 :: 7.578 HD22 :: 6.901 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 :: 115.945 ND2 :: 112.775 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.D17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> N 0.47 D 0.32 L 0.1 C 0.08 C Shift Assignments>> CA :: 53.161 CB :: 39.662 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 :: 7.852 HA :: 4.950 HB2 :: 3.133 HB3 :: 2.732 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) 1.C18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.29 K 0.28 D 0.22 R 0.08 C 0.07 N 0.02 I 0.01 C Shift Assignments>> CA :: 56.060 CB :: 41.728 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.823 HA :: 4.988 HB2 :: 2.738 HB3 :: 2.960 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 :: 119.240 Ave N Shift Values>> N :: 120.17(4.64) 1.C19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.4 L 0.25 N 0.16 K 0.08 C 0.08 C Shift Assignments>> CA :: 54.529 CB :: 40.775 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.098 HA :: 4.446 HB2 :: 2.487 HB3 :: 3.390 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 :: 120.817 Ave N Shift Values>> N :: 120.17(4.64) 1.E20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 K 0.3 R 0.29 C Shift Assignments>> CA :: 57.495 CB :: 27.811 CG :: 32.488 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 :: 8.208 HA :: 4.091 HB2 :: 2.073 HB3 :: 1.967 HG2 :: 2.488 HG3 :: 2.488 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 :: 118.216 Ave N Shift Values>> N :: 120.67(3.48) 1.G21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.55 L 0.24 R 0.12 C 0.04 D 0.02 C Shift Assignments>> CA :: 44.533 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.949 HA2 :: 3.621 HA3 :: 4.204 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.638 Ave N Shift Values>> N :: 109.67(3.87) 1.L22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.55 L 0.3 C 0.12 R 0.01 C Shift Assignments>> CA :: 52.451 CB :: 44.607 CG :: 26.291 CD1 :: 26.363 CD2 :: 22.476 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 :: 7.818 HA :: 5.168 HB2 :: 2.089 HB3 :: 0.928 HG :: 1.238 HD11 :: 0.659 HD12 :: 0.659 HD13 :: 0.659 HD21 :: 0.392 HD22 :: 0.392 HD23 :: 0.392 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 :: 120.025 Ave N Shift Values>> N :: 121.86(3.9) 1.E23 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.89 K 0.1 C Shift Assignments>> CA :: 52.950 CB :: 31.402 CG :: 31.652(S) 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 :: 9.312 HA :: 4.733 HB2 :: 1.914 HB3 :: 1.838 HG2 :: 2.241 HG3 :: 2.172 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 :: 116.804 Ave N Shift Values>> N :: 120.67(3.48) 1.C24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.36 N 0.22 L 0.2 C 0.16 I 0.03 K 0.01 C Shift Assignments>> CA :: 55.503 CB :: 39.846 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.026 HA :: 4.829 HB2 :: 3.081 HB3 :: 3.246 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 :: 123.207 Ave N Shift Values>> N :: 120.17(4.64) 1.W25 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Anomalous PRTL>> K 0.35 C 0.32 R 0.13 W 0.08 E 0.05 V 0.03 C Shift Assignments>> CA :: 56.453 CB :: 33.308 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 :: 9.392 HA :: 4.962 HB2 :: 3.088 HB3 :: 3.375 HD1 :: 7.171 HE1 :: 10.106 HE3 :: 7.573 HZ2 :: 7.507 HZ3 :: 7.253 HH2 :: 7.161 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 :: 103.088(A) NE1 :: 129.260 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.K26 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Unknown N Shifts: Consistent PRTL>> K 0.58 I 0.38 L 0.02 C Shift Assignments>> CB :: 33.049 CG :: 24.067 CD :: 35.306(S) 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 :: 7.759 HA :: 4.447 HB2 :: 1.435 HB3 :: 1.595 HG2 :: 1.084 HG3 :: 1.084 HD2 :: 1.476 HD3 :: 1.476 HE2 :: 2.817 HE3 :: 2.817 HZ1 :: 7.364(U) HZ2 :: 7.364(U) HZ3 :: 7.364(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 :: 126.606 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R27 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Anomalous PRTL>> R 0.48 C 0.36 G 0.1 K 0.04 C Shift Assignments>> CA :: 55.381 CB :: 31.818 CG :: 26.817 CD :: 43.628 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 :: 8.173 HA :: 4.086 HB2 :: 1.603 HB3 :: 1.708 HG2 :: 1.537 HG3 :: 1.595 HD2 :: 3.095 HD3 :: 3.095 HE :: 7.101 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 :: 125.037 NE :: 116.229(A) 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.R28 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Anomalous PRTL>> R 0.38 C 0.36 L 0.11 K 0.07 G 0.05 C Shift Assignments>> CA :: 57.464 CB :: 28.424 CG :: 27.075 CD :: 43.205 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 :: 8.388 HA :: 4.087 HB2 :: 1.790 HB3 :: 1.681 HG2 :: 1.597 HG3 :: 1.597 HD2 :: 3.201 HD3 :: 3.201 HE :: 7.174 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 :: 122.531 NE :: 116.512(A) 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.G29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.83 L 0.1 C 0.03 R 0.01 C Shift Assignments>> CA :: 45.237 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.715 HA2 :: 3.721 HA3 :: 4.137 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.115 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 0.51 D 0.29 L 0.09 C 0.08 C Shift Assignments>> CA :: 52.943 CB :: 39.516 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 :: 8.137 HA :: 4.743 HB2 :: 2.873 HB3 :: 2.797 HD21 :: 6.957 HD22 :: 7.505 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 :: 118.696 ND2 :: 112.284 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.46 C 0.42 R 0.1 C Shift Assignments>> CA :: 56.924 CB :: 32.748 CG :: 24.965 CD :: 28.870 CE :: 41.789 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 :: 8.378 HA :: 4.250 HB2 :: 1.876 HB3 :: 1.761 HG2 :: 1.450 HG3 :: 1.385 HD2 :: 1.648 HD3 :: 1.648 HE2 :: 2.957 HE3 :: 2.957 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 :: 120.134 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 57.730 CB :: 64.165 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.059 HA :: 4.501 HB2 :: 3.833 HB3 :: 3.833 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 :: 114.425 Ave N Shift Values>> N :: 116.28(3.52) 1.S33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> CA :: 58.727 CB :: 61.964 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.816 HA :: 4.925 HB2 :: 3.504 HB3 :: 3.504 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) 1.V34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.97 V 0.01 C Shift Assignments>> CA :: 59.087 CB :: 37.219 CG1 :: 18.317 CG2 :: 21.703 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 :: 8.674 HA :: 5.082 HB :: 1.830 HG11 :: 0.818 HG12 :: 0.818 HG13 :: 0.818 HG21 :: 0.956 HG22 :: 0.956 HG23 :: 0.956 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 :: 118.674 Ave N Shift Values>> N :: 121.14(4.54) 1.C35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.37 N 0.31 L 0.17 C 0.12 I 0.01 K 0.01 C Shift Assignments>> CA :: 54.646 CB :: 39.811 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.117 HA :: 5.145 HB2 :: 2.906 HB3 :: 2.592 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 :: 119.851 Ave N Shift Values>> N :: 120.17(4.64) 1.V36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.69 V 0.3 C Shift Assignments>> CA :: 57.897 CB :: 33.042 CG1 :: 22.113 CG2 :: 19.772 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 :: 9.568 HA :: 4.565 HB :: 2.205 HG11 :: 1.063 HG12 :: 1.063 HG13 :: 1.063 HG21 :: 0.869 HG22 :: 0.869 HG23 :: 0.869 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 :: 121.174 Ave N Shift Values>> N :: 121.14(4.54) 1.P37 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 :: 63.324 CB :: 31.909 CG :: 27.676 CD :: 50.587 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 :: 4.499 HB2 :: 2.207 HB3 :: 1.816 HG2 :: 2.069 HG3 :: 1.552 HD2 :: 3.492 HD3 :: 2.772 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.I38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.74 C 0.25 C Shift Assignments>> CA :: 62.516 CB :: 38.895 CG1 :: 28.204 CG2 :: 17.181 CD1 :: 13.589 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 :: 7.778 HA :: 3.868 HB :: 1.603 HG12 :: 1.289 HG13 :: 0.870 HG21 :: 0.806 HG22 :: 0.806 HG23 :: 0.806 HD11 :: 0.726 HD12 :: 0.726 HD13 :: 0.726 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 :: 122.182 Ave N Shift Values>> N :: 121.46(4.28) 1.T39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.88 C 0.11 C Shift Assignments>> CA :: 61.102 CB :: 70.240 CG2 :: 21.453 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 :: 7.747 HA :: 4.292 HB :: 4.245 HG21 :: 1.123 HG22 :: 1.123 HG23 :: 1.123 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 :: 119.781 Ave N Shift Values>> N :: 115.42(4.75) ########################################################################### Overall Results: #Consistent: 31 #Clerical: 0 #Suspicious: 3 #Anomalous: 5 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 39 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 39 #Suspicious: 0 C Shift Results: #Consistent: 113 #Duplicate: 0 #Unknown: 0 #Suspicious: 3 #Anomalous: 0 H Shift Results: #Consistent: 265 #Duplicate: 0 #Unknown: 3 #Suspicious: 1 #Anomalous: 0 N Shift Results: #Consistent: 35 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 5 Error Summary: 1.R6 NE = 117.340(A), Expected = 84.63, Std = 1.6800, ChiSquare = 1.9636e-84 1.K7 HG2 = 0.173(S), Expected = 1.37, Std = 0.2600, ChiSquare = 4.1476e-06 1.R14 CG = 31.645(S), Expected = 27.21, Std = 1.2000, ChiSquare = 2.1917e-04 1.R14 NE = 117.253(A), Expected = 84.63, Std = 1.6800, ChiSquare = 5.3890e-84 1.E23 CG = 31.652(S), Expected = 36.11, Std = 1.1900, ChiSquare = 1.7952e-04 1.W25 N = 103.088(A), Expected = 121.68, Std = 4.1800, ChiSquare = 8.6735e-06 1.K26 CD = 35.306(S), Expected = 28.96, Std = 1.0800, ChiSquare = 4.2049e-09 1.K26 HZ1 = 7.364(U) 1.K26 HZ2 = 7.364(U) 1.K26 HZ3 = 7.364(U) 1.R27 NE = 116.229(A), Expected = 84.63, Std = 1.6800, ChiSquare = 6.3815e-79 1.R28 NE = 116.512(A), Expected = 84.63, Std = 1.6800, ChiSquare = 2.6235e-80