Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> HA2 :: 3.833 HA3 :: 3.833 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 1.C2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.444 HA :: 4.741 HB2 :: 3.055 HB3 :: 2.879 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) 1.N3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.39 N 0.29 D 0.13 C 0.04 P 0.03 R 0.02 W 0.02 K 0.01 F 0.01 C Shift Assignments>> CA :: 52.163 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 :: 8.999 HA :: 4.917 HB2 :: 2.925 HB3 :: 2.637 HD21 :: 7.223 HD22 :: 6.946 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 :: 120.034 ND2 :: 110.570 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K4 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Unknown N Shifts: Anomalous PRTL>> D 0.2 R 0.14 K 0.12 C 0.1 W 0.09 E 0.09 N 0.09 F 0.07 A 0.07 C Shift Assignments>> CA :: 55.344 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 :: 8.397 HA :: 4.044 HB2 :: 1.856 HB3 :: 1.705 HG2 :: 1.472 HG3 :: 1.393 HD2 :: 1.628 HD3 :: 1.628 HE2 :: 2.955 HE3 :: 2.955 HZ1 :: 7.471(U) HZ2 :: 7.471(U) HZ3 :: 7.471(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 :: 122.189 NZ :: 102.766(A) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.31 A 0.26 D 0.18 R 0.05 C 0.04 K 0.03 W 0.03 F 0.02 E 0.02 C Shift Assignments>> CA :: 53.555 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.858 HA :: 3.661 HB1 :: 1.216 HB2 :: 1.216 HB3 :: 1.216 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.626 Ave N Shift Values>> N :: 123.23(3.54) 1.G6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 R 0.04 C 0.04 F 0.01 D 0.01 C Shift Assignments>> CA :: 44.963 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.230 HA2 :: 4.322 HA3 :: 3.448 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.330 Ave N Shift Values>> N :: 109.67(3.87) 1.A7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.32 P 0.29 N 0.21 D 0.08 C 0.03 R 0.01 W 0.01 C Shift Assignments>> CA :: 51.296 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.864 HA :: 4.362 HB1 :: 1.461 HB2 :: 1.461 HB3 :: 1.461 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.115 Ave N Shift Values>> N :: 123.23(3.54) 1.F8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.22 F 0.2 W 0.17 E 0.13 K 0.11 R 0.1 T 0.03 D 0.01 C Shift Assignments>> CA :: 58.487 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.185 HA :: 4.899 HB2 :: 3.166 HB3 :: 2.812 HD1 :: 7.275 HD2 :: 7.275 HE1 :: 7.183 HE2 :: 7.183 HZ :: 7.032 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 :: 118.828 Ave N Shift Values>> N :: 120.45(4.18) 1.C9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.33 N 0.3 D 0.16 C 0.04 R 0.04 K 0.03 W 0.03 F 0.02 E 0.01 C Shift Assignments>> CA :: 53.228 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.333 HA :: 4.399 HB2 :: 3.000 HB3 :: 3.000 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 :: 115.856 Ave N Shift Values>> N :: 120.17(4.64) 1.T10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 61.738 CB :: 70.507 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 :: 8.001 HA :: 4.334 HB :: 4.173 HG21 :: 1.038 HG22 :: 1.038 HG23 :: 1.038 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 :: 103.575 Ave N Shift Values>> N :: 115.42(4.75) 1.K11 Overall: Anomalous Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Unknown N Shifts: Anomalous H Shift Assignments>> H :: 7.624 HA :: 4.628 HB2 :: 1.870 HB3 :: 1.568 HG2 :: 1.311 HG3 :: 1.311 HD2 :: 1.610 HD3 :: 1.610 HE2 :: 2.880 HE3 :: 2.880 HZ1 :: 7.429(U) HZ2 :: 7.429(U) HZ3 :: 7.429(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 :: 120.445 NZ :: 102.767(A) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.18 K 0.18 E 0.15 W 0.14 C 0.12 F 0.11 D 0.05 N 0.01 A 0.01 C Shift Assignments>> CA :: 56.825 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 :: 8.938 HA :: 4.013 HB2 :: 2.935 HB3 :: 2.644 HD21 :: 7.574 HD22 :: 6.982 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 :: 127.641 ND2 :: 112.647 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.N13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.25 N 0.2 A 0.16 R 0.08 C 0.06 K 0.06 W 0.05 E 0.04 F 0.04 C Shift Assignments>> CA :: 54.303 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 :: 8.239 HA :: 4.488 HB2 :: 2.807 HB3 :: 2.744 HD21 :: 7.468 HD22 :: 6.755 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 :: 112.586 ND2 :: 111.175 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.N14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.25 N 0.2 A 0.16 R 0.08 K 0.07 C 0.07 W 0.05 E 0.04 F 0.04 C Shift Assignments>> CA :: 54.337 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.793 HA :: 4.659 HB2 :: 3.049 HB3 :: 2.882 HD21 :: 7.469 HD22 :: 7.144 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 :: 115.005 ND2 :: 110.073 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.C15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.3 A 0.25 D 0.19 R 0.05 C 0.05 K 0.04 W 0.03 F 0.02 E 0.02 C Shift Assignments>> CA :: 53.636 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.905 HA :: 5.051 HB2 :: 3.297 HB3 :: 2.574 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 :: 118.191 Ave N Shift Values>> N :: 120.17(4.64) 1.C16 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 9.662 HA :: 4.741 HB2 :: 3.168 HB3 :: 2.390 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 :: 124.938 Ave N Shift Values>> N :: 120.17(4.64) 1.P17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> CA :: 63.213 CD :: 50.530 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 :: 4.108 HB2 :: 1.780 HB3 :: 1.780 HG2 :: 2.005 HG3 :: 1.624 HD2 :: 3.798 HD3 :: 3.555 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.T18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 60.202 CB :: 72.154 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 :: 8.657 HA :: 4.481 HB :: 4.251 HG1 :: 4.475 HG21 :: 1.138 HG22 :: 1.138 HG23 :: 1.138 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 :: 118.514 Ave N Shift Values>> N :: 115.42(4.75) 1.K19 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Unknown N Shifts: Anomalous PRTL>> W 0.18 E 0.16 F 0.16 C 0.15 K 0.14 R 0.13 D 0.02 T 0.01 C Shift Assignments>> CA :: 57.604 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 :: 8.678 HA :: 3.852 HB2 :: 1.810 HB3 :: 1.755 HG2 :: 1.376 HG3 :: 1.285 HD2 :: 1.622 HD3 :: 1.510 HE2 :: 2.888 HE3 :: 2.888 HZ1 :: 7.426(U) HZ2 :: 7.426(U) HZ3 :: 7.426(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 :: 116.588 NZ :: 102.331(A) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.93 C 0.03 R 0.01 F 0.01 C Shift Assignments>> CA :: 45.269 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.560 HA2 :: 4.024 HA3 :: 3.595 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.697 Ave N Shift Values>> N :: 109.67(3.87) 1.R21 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Anomalous PRTL>> R 0.16 K 0.14 D 0.14 W 0.11 E 0.11 C 0.11 F 0.09 N 0.05 A 0.04 C Shift Assignments>> CA :: 55.807 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 :: 7.763 HA :: 4.373 HB2 :: 1.972 HB3 :: 1.920 HG2 :: 1.616 HG3 :: 1.616 HD2 :: 3.235 HD3 :: 3.041 HE :: 6.962 HH21 :: 6.655 HH22 :: 6.629 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 :: 120.171 NE :: 120.404(A) NH2 :: 106.613(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.N22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.37 N 0.3 D 0.15 C 0.04 R 0.03 K 0.02 W 0.02 F 0.01 E 0.01 HN Overlap>> 1.E25 1.E25 C Shift Assignments>> CA :: 52.921 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 :: 8.454 HA :: 4.649 HB2 :: 2.856 HB3 :: 2.760 HD21 :: 7.484 HD22 :: 6.787 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 116.058 ND2 :: 111.536 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.R23 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Anomalous PRTL>> N 0.24 D 0.23 A 0.19 R 0.07 C 0.06 K 0.05 W 0.05 E 0.03 F 0.03 C Shift Assignments>> CA :: 54.069 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 :: 7.378 HA :: 4.573 HB2 :: 1.856 HB3 :: 1.656 HG2 :: 1.542 HG3 :: 1.542 HD2 :: 3.128 HD3 :: 3.128 HE :: 7.114 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 :: 120.447 NE :: 120.180(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.G24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 C 0.03 R 0.02 F 0.01 C Shift Assignments>> CA :: 45.207 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.784 HA2 :: 3.756 HA3 :: 3.519 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.171 Ave N Shift Values>> N :: 109.67(3.87) 1.E25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.23 R 0.12 N 0.11 K 0.1 A 0.09 C 0.09 W 0.08 E 0.07 F 0.06 HN Overlap>> 1.N22 1.N22 C Shift Assignments>> CA :: 55.041 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 :: 8.487 HA :: 4.282 HB2 :: 1.849 HB3 :: 1.628 HG2 :: 2.078 HG3 :: 1.986 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 :: 116.164 Ave N Shift Values>> N :: 120.67(3.48) 1.C26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.23 N 0.23 A 0.19 R 0.07 C 0.06 K 0.06 W 0.05 E 0.03 F 0.03 C Shift Assignments>> CA :: 54.103 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.960 HA :: 4.906 HB2 :: 2.572 HB3 :: 2.494 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 :: 121.772 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 0.99 C Shift Assignments>> CB :: 72.288 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 :: 8.540 HA :: 4.373 HB :: 4.333 HG21 :: 1.207 HG22 :: 1.207 HG23 :: 1.207 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 :: 121.279 Ave N Shift Values>> N :: 115.42(4.75) 1.W28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.18 F 0.17 C 0.16 E 0.15 K 0.13 R 0.12 D 0.02 T 0.01 C Shift Assignments>> CA :: 57.765 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 :: 8.166 HA :: 4.074 HB2 :: 3.321 HB3 :: 3.143 HD1 :: 7.299 HE1 :: 10.099 HE3 :: 7.423 HZ2 :: 7.418 HZ3 :: 7.293 HH2 :: 7.106 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 :: 119.404 NE1 :: 129.449 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.A29 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> P 0.56 A 0.21 N 0.12 D 0.04 C 0.02 C Shift Assignments>> CA :: 50.799 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 6.640 HA :: 3.855 HB1 :: 0.481(S) HB2 :: 0.481(S) HB3 :: 0.481(S) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.474 Ave N Shift Values>> N :: 123.23(3.54) 1.F30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 K 0.25 E 0.08 W 0.06 R 0.05 C Shift Assignments>> CA :: 59.200 CB :: 34.076 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 :: 7.791 HA :: 3.840 HB2 :: 3.602 HB3 :: 3.189 HD1 :: 7.223 HD2 :: 7.223 HE1 :: 7.328 HE2 :: 7.328 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 :: 115.479 Ave N Shift Values>> N :: 120.45(4.18) 1.K31 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Unknown N Shifts: Consistent PRTL>> N 0.29 A 0.24 D 0.2 R 0.05 C 0.05 K 0.04 W 0.04 F 0.02 E 0.02 C Shift Assignments>> CA :: 53.724 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 :: 6.477 HA :: 5.105 HB2 :: 1.281 HB3 :: 1.207 HG2 :: 1.187 HG3 :: 1.046 HD2 :: 1.520 HD3 :: 1.611 HE2 :: 2.830 HE3 :: 2.830 HZ1 :: 7.415(U) HZ2 :: 7.415(U) HZ3 :: 7.415(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 :: 113.363 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.C32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.26 D 0.22 A 0.21 R 0.06 C 0.05 K 0.05 W 0.04 F 0.03 E 0.03 C Shift Assignments>> CA :: 53.933 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.849 HA :: 5.127 HB2 :: 3.155 HB3 :: 2.871 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 :: 121.400 Ave N Shift Values>> N :: 120.17(4.64) 1.D33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.21 R 0.13 K 0.11 N 0.1 C 0.09 W 0.09 E 0.08 A 0.08 F 0.07 C Shift Assignments>> CA :: 55.190 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 :: 9.062 HA :: 4.458 HB2 :: 2.476 HB3 :: 2.476 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 :: 131.701 Ave N Shift Values>> N :: 120.65(3.86) ########################################################################### Overall Results: #Consistent: 26 #Clerical: 1 #Suspicious: 1 #Anomalous: 5 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 29 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 4 Shift Relative Order (SRO) Results: #Consistent: 33 #Suspicious: 0 C Shift Results: #Consistent: 33 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 200 #Duplicate: 0 #Unknown: 12 #Suspicious: 3 #Anomalous: 0 N Shift Results: #Consistent: 36 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 6 Error Summary: 1.K4 HZ1 = 7.471(U) 1.K4 HZ2 = 7.471(U) 1.K4 HZ3 = 7.471(U) 1.K4 NZ = 102.766(A), Expected = 33.81, Std = 2.8100, ChiSquare = 0.0000e+00 1.K11 HZ1 = 7.429(U) 1.K11 HZ2 = 7.429(U) 1.K11 HZ3 = 7.429(U) 1.K11 NZ = 102.767(A), Expected = 33.81, Std = 2.8100, ChiSquare = 0.0000e+00 1.K19 HZ1 = 7.426(U) 1.K19 HZ2 = 7.426(U) 1.K19 HZ3 = 7.426(U) 1.K19 NZ = 102.331(A), Expected = 33.81, Std = 2.8100, ChiSquare = 0.0000e+00 1.R21 NE = 120.404(A), Expected = 84.63, Std = 1.6800, ChiSquare = 0.0000e+00 1.R21 NH2 = 106.613(A), Expected = 73.26, Std = 3.3200, ChiSquare = 9.5591e-24 1.R23 NE = 120.180(A), Expected = 84.63, Std = 1.6800, ChiSquare = 0.0000e+00 1.A29 HB1 = 0.481(S), Expected = 1.35, Std = 0.2600, ChiSquare = 8.3085e-04 1.A29 HB2 = 0.481(S), Expected = 1.35, Std = 0.2600, ChiSquare = 8.3085e-04 1.A29 HB3 = 0.481(S), Expected = 1.35, Std = 0.2600, ChiSquare = 8.3085e-04 1.K31 HZ1 = 7.415(U) 1.K31 HZ2 = 7.415(U) 1.K31 HZ3 = 7.415(U)