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 0.85 L 0.09 R 0.03 C Shift Assignments>> C :: 173.598 CA :: 45.322 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.882 HA2 :: 3.854 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.844 Ave N Shift Values>> N :: 109.91(4.29) 1.S2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.625 CA :: 56.378 CB :: 63.626 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.116 HA :: 4.687 HB2 :: 3.788 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 116.883 Ave N Shift Values>> N :: 116.3(3.95) 1.P3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.83 I 0.09 W 0.04 R 0.01 C Shift Assignments>> C :: 176.740 CA :: 63.760 CB :: 32.262 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.370 HB2 :: 1.879 HB3 :: 2.171 HD2 :: 3.677 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.N4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.5 D 0.28 Y 0.12 L 0.06 E 0.01 C Shift Assignments>> C :: 175.065 CA :: 53.527 CB :: 39.036 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.344 HA :: 4.633 HB2 :: 2.710 HB3 :: 2.812 HD21 :: 6.900 HD22 :: 7.549 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 118.206 ND2 :: 113.236 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.S5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.T45 1.T45 C Shift Assignments>> C :: 174.090 CA :: 58.340 CB :: 64.046 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.073 HA :: 4.424 HB2 :: 3.828 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 116.074 Ave N Shift Values>> N :: 116.3(3.95) 1.S6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 56.437 CB :: 63.585 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.248 HA :: 4.710 HB2 :: 3.794 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 118.893 Ave N Shift Values>> N :: 116.3(3.95) 1.P7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 176.756 CA :: 63.595 CB :: 32.314 CG :: 27.317 CD :: 50.695 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.366 HB2 :: 1.875 HB3 :: 2.197 HD2 :: 3.635 HD3 :: 3.781 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.A8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.98 L 0.01 C Shift Assignments>> C :: 177.228 CA :: 52.582 CB :: 19.353 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.230 HA :: 4.226 HB1 :: 1.257 HB2 :: 1.257 HB3 :: 1.257 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.061 Ave N Shift Values>> N :: 123.23(3.7) 1.S9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.505 CA :: 58.205 CB :: 64.590 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.093 HA :: 4.463 HB2 :: 3.788 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 114.384 Ave N Shift Values>> N :: 116.3(3.95) 1.G10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.63 L 0.19 R 0.13 D 0.01 Y 0.01 C Shift Assignments>> C :: 171.346 CA :: 44.727 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.125 HA2 :: 4.024 HA3 :: 4.099 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.370 Ave N Shift Values>> N :: 109.91(4.29) 1.P11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> CA :: 62.717 CB :: 32.272 CG :: 26.895 CD :: 49.816 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.424 HB2 :: 1.877 HB3 :: 2.217 HD3 :: 3.383 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.L12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.7 K 0.26 A 0.01 R 0.01 C Shift Assignments>> CA :: 53.572 CB :: 41.443 CG :: 26.800 CD1 :: 24.144 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.566 HA :: 4.163 HB2 :: 1.354 HB3 :: 1.740 HG :: 1.006 HD11 :: 0.735 HD12 :: 0.735 HD13 :: 0.735 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 122.659 Ave N Shift Values>> N :: 121.98(4.07) 1.P13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 175.569 CA :: 62.323 CB :: 31.670 CG :: 27.322 CD :: 50.292 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.428 HB2 :: 1.956 HB3 :: 2.421 HG2 :: 1.535 HG3 :: 1.722 HD2 :: 2.923 HD3 :: 3.400 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.E14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.6 I 0.19 K 0.12 Q 0.06 C Shift Assignments>> C :: 177.197 CA :: 58.539 CB :: 30.026 CG :: 36.219 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.417 HA :: 4.060 HB2 :: 1.950 HB3 :: 2.067 HG2 :: 2.238 HG3 :: 2.313 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.570 Ave N Shift Values>> N :: 120.68(3.68) 1.G15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.83 L 0.1 R 0.04 C Shift Assignments>> C :: 173.377 CA :: 45.242 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.826 HA2 :: 3.648 HA3 :: 4.190 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 113.873 Ave N Shift Values>> N :: 109.91(4.29) 1.W16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.97 H 0.02 C Shift Assignments>> C :: 176.355 CA :: 56.852 CB :: 32.170 CD1 :: 126.16 CE3 :: 120.38 CZ2 :: 114.19 CZ3 :: 121.57 CH2 :: 123.75 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 7.872 HA :: 5.563 HB2 :: 2.929 HB3 :: 3.232 HD1 :: 7.006 HE1 :: 10.337 HE3 :: 7.332 HZ2 :: 7.495 HZ3 :: 6.771 HH2 :: 7.078 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 119.088 NE1 :: 130.172 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.E17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.92 Q 0.05 I 0.01 C Shift Assignments>> C :: 174.189 CA :: 54.946 CB :: 34.746 CG :: 36.179 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.315 HA :: 4.697 HB2 :: 1.996 HG2 :: 2.266 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.155 Ave N Shift Values>> N :: 120.68(3.68) 1.Q18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.46 Q 0.36 K 0.14 I 0.01 C Shift Assignments>> C :: 173.530 CA :: 55.599 CB :: 31.294 CG :: 34.813 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.868 HA :: 4.453 HB2 :: 1.912 HG2 :: 2.014 HE21 :: 6.966 HE22 :: 7.074 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 125.086 NE2 :: 112.387 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.A19 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.72 L 0.25 K 0.01 C Shift Assignments>> C :: 173.778 CA :: 50.826 CB :: 22.004 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.710 HA :: 4.386 HB1 :: 0.450(S) HB2 :: 0.450(S) HB3 :: 0.450(S) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 131.851 Ave N Shift Values>> N :: 123.23(3.7) 1.I20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.97 G 0.01 HN Overlap>> 1.K34 1.K34 C Shift Assignments>> C :: 176.970 CA :: 59.375 CB :: 41.690 CG1 :: 27.521 CG2 :: 16.641 CD1 :: 13.689 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.758 HA :: 5.232 HB :: 1.517 HG12 :: 1.060 HG13 :: 1.306 HG21 :: 0.834 HG22 :: 0.834 HG23 :: 0.834 HD11 :: 0.738 HD12 :: 0.738 HD13 :: 0.738 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 116.628 Ave N Shift Values>> N :: 121.6(4.72) 1.T21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 60.685 CB :: 69.240 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 9.362 HB :: 4.866 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 119.292 Ave N Shift Values>> N :: 115.7(5.05) 1.P22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.97 I 0.01 C Shift Assignments>> C :: 177.224 CA :: 65.461 CB :: 31.783 CG :: 27.874 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.336 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.E23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.66 I 0.19 K 0.11 Q 0.01 C Shift Assignments>> C :: 176.675 CA :: 56.835 CB :: 29.458 CG :: 37.099 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.496 HA :: 4.314 HB2 :: 1.931 HB3 :: 2.220 HG2 :: 2.214 HG3 :: 2.392 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 112.803 Ave N Shift Values>> N :: 120.68(3.68) 1.G24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.89 L 0.08 R 0.01 C Shift Assignments>> C :: 174.209 CA :: 45.724 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.296 HA2 :: 3.512 HA3 :: 4.206 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.843 Ave N Shift Values>> N :: 109.91(4.29) 1.E25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.77 K 0.09 Q 0.07 I 0.05 C Shift Assignments>> C :: 175.435 CA :: 55.865 CB :: 31.005 CG :: 36.321 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.567 HA :: 4.517 HB2 :: 2.179 HB3 :: 2.256 HG2 :: 2.183 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.995 Ave N Shift Values>> N :: 120.68(3.68) 1.I26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 175.468 CA :: 61.424 CB :: 38.955 CG1 :: 28.787 CG2 :: 17.818 CD1 :: 13.137 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.558 HA :: 4.608 HB :: 1.701 HG12 :: 1.039 HG13 :: 1.605 HG21 :: 0.644 HG22 :: 0.644 HG23 :: 0.644 HD11 :: 0.805 HD12 :: 0.805 HD13 :: 0.805 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 125.921 Ave N Shift Values>> N :: 121.6(4.72) 1.Y27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 170.800 CA :: 55.566 CB :: 39.105 CD1 :: 132.54 CD2 :: 132.26 CE1 :: 117.81 CE2 :: 117.91 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.519 HA :: 4.574 HB2 :: 2.290 HD1 :: 6.683 HD2 :: 6.683 HE1 :: 6.289 HE2 :: 6.289 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 124.383 Ave N Shift Values>> N :: 120.79(4.69) 1.Y28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.97 G 0.02 C Shift Assignments>> C :: 174.752 CA :: 56.891 CB :: 42.173 CD1 :: 132.54 CD2 :: 132.26 CE1 :: 117.81 CE2 :: 117.91 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.720 HA :: 5.219 HB2 :: 2.793 HB3 :: 3.062 HD1 :: 6.755 HD2 :: 6.755 HE1 :: 6.635 HE2 :: 6.635 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 116.263 Ave N Shift Values>> N :: 120.79(4.69) 1.I29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.92 G 0.07 C Shift Assignments>> C :: 173.814 CA :: 60.273 CB :: 42.412 CG1 :: 28.064 CG2 :: 16.485 CD1 :: 14.572 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.295 HA :: 4.471 HB :: 1.346 HG12 :: 0.691 HG13 :: 1.201 HG21 :: 0.352 HG22 :: 0.352 HG23 :: 0.352 HD11 :: 0.627 HD12 :: 0.627 HD13 :: 0.627 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 122.356 Ave N Shift Values>> N :: 121.6(4.72) 1.N30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.82 D 0.05 Y 0.05 E 0.03 C Shift Assignments>> C :: 176.131 CA :: 51.045 CB :: 36.912 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.364 HA :: 4.103 HB2 :: 2.381 HD21 :: 7.27 HD22 :: 6.583 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 125.650 ND2 :: 109.905 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.H31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.17 E 0.16 K 0.15 Q 0.15 H 0.13 R 0.12 I 0.07 L 0.01 C Shift Assignments>> C :: 176.309 CA :: 58.242 CB :: 29.216 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.749 HA :: 4.236 HB2 :: 3.121 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 122.096 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.K32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.62 R 0.36 G 0.01 C Shift Assignments>> C :: 177.610 CA :: 58.835 CB :: 31.899 CG :: 24.995 CD :: 29.047 CE :: 42.097 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.247 HA :: 4.055 HB2 :: 1.720 HB3 :: 1.785 HG2 :: 1.325 HG3 :: 1.385 HD2 :: 1.627 HE2 :: 2.912 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 119.796 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.N33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.65 D 0.23 Y 0.06 L 0.03 C Shift Assignments>> C :: 174.532 CA :: 51.977 CB :: 38.926 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.058 HA :: 4.658 HB2 :: 2.637 HD21 :: 6.691 HD22 :: 7.357 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 113.809 ND2 :: 110.823 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.K34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.54 K 0.39 G 0.03 L 0.02 HN Overlap>> 1.I20 1.I20 C Shift Assignments>> C :: 175.652 CA :: 57.256 CB :: 29.284 CG :: 25.097 CD :: 29.390 CE :: 42.525 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.725 HA :: 3.825 HB2 :: 1.799 HB3 :: 1.973 HG2 :: 1.271 HD2 :: 1.596 HE2 :: 2.964 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 116.609 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.T35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.794 CA :: 60.713 CB :: 72.178 CG2 :: 21.488 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.630 HA :: 4.681 HB :: 4.139 HG21 :: 1.084 HG22 :: 1.084 HG23 :: 1.084 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 110.570 Ave N Shift Values>> N :: 115.7(5.05) 1.T36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.264 CA :: 60.191 CB :: 72.176 CG2 :: 22.402 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.245 HA :: 5.325 HB :: 4.088 HG21 :: 1.083 HG22 :: 1.083 HG23 :: 1.083 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 112.409 Ave N Shift Values>> N :: 115.7(5.05) 1.S37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.94 T 0.05 C Shift Assignments>> C :: 174.424 CA :: 57.299 CB :: 65.978 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.322 HA :: 4.798 HB2 :: 4.025 HB3 :: 4.021 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 114.724 Ave N Shift Values>> N :: 116.3(3.95) 1.W38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.97 H 0.02 C Shift Assignments>> C :: 175.916 CA :: 58.488 CB :: 30.174 CD1 :: 126.16 CE3 :: 120.38 CZ2 :: 114.19 CZ3 :: 121.57 CH2 :: 123.75 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 8.978 HA :: 4.945 HB2 :: 3.076 HB3 :: 3.604 HD1 :: 7.305 HE1 :: 10.211 HE3 :: 7.926 HZ2 :: 7.209 HZ3 :: 6.884 HH2 :: 6.933 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 126.173 NE1 :: 129.422 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.L39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.8 G 0.1 R 0.06 A 0.02 C Shift Assignments>> C :: 175.510 CA :: 53.950 CB :: 43.128 CG :: 26.913 CD1 :: 23.908 CD2 :: 24.772 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.235 HA :: 4.426 HB2 :: 1.374 HG :: 1.498 HD11 :: 0.792 HD12 :: 0.792 HD13 :: 0.792 HD21 :: 0.850 HD22 :: 0.850 HD23 :: 0.850 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.391 Ave N Shift Values>> N :: 121.98(4.07) 1.D40 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> D 0.42 N 0.24 L 0.19 K 0.06 Y 0.03 R 0.03 C Shift Assignments>> C :: 175.823 CA :: 51.301 CB :: 41.444 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.133 HA :: 3.140(S) HB2 :: 2.412 HB3 :: 2.538 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 125.050 Ave N Shift Values>> N :: 120.73(4.2) 1.P41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.781 CA :: 63.190 CB :: 30.872 CG :: 26.403 CD :: 49.808 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 3.769 HB2 :: 2.05 HB3 :: 2.05 HG2 :: 2.529 HG3 :: 2.590 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.R42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.68 K 0.21 G 0.08 L 0.01 C Shift Assignments>> C :: 177.056 CA :: 57.496 CB :: 30.361 CG :: 27.372 CD :: 43.143 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.393 HA :: 3.839 HB2 :: 1.506 HB3 :: 1.756 HG2 :: 1.221 HD2 :: 2.827 HD3 :: 2.912 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 118.634 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.L43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.79 R 0.11 A 0.06 G 0.01 C Shift Assignments>> C :: 177.101 CA :: 55.045 CB :: 42.017 CG :: 26.933 CD1 :: 22.798 CD2 :: 25.513 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.389 HA :: 4.162 HB2 :: 1.487 HB3 :: 1.646 HG :: 1.397 HD11 :: 0.736 HD12 :: 0.736 HD13 :: 0.736 HD21 :: 0.880 HD22 :: 0.880 HD23 :: 0.880 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.227 Ave N Shift Values>> N :: 121.98(4.07) 1.E44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.66 K 0.14 Q 0.12 I 0.06 C Shift Assignments>> C :: 176.257 CA :: 56.564 CB :: 30.628 CG :: 35.971 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.603 HA :: 4.228 HB2 :: 1.835 HB3 :: 1.974 HG2 :: 2.122 HG3 :: 2.188 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.350 Ave N Shift Values>> N :: 120.68(3.68) 1.T45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> 1.S5 1.S5 C Shift Assignments>> C :: 173.653 CA :: 61.748 CB :: 69.926 CG2 :: 21.588 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.010 HA :: 4.281 HB :: 4.167 HG21 :: 1.120 HG22 :: 1.120 HG23 :: 1.120 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 116.071 Ave N Shift Values>> N :: 115.7(5.05) 1.R46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.53 R 0.25 K 0.21 C Shift Assignments>> C :: 180.888 CA :: 57.514 CB :: 31.840 CG :: 31.664 CD :: 43.600 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.916 HA :: 4.121 HB2 :: 1.663 HB3 :: 1.814 HG2 :: 1.548 HD2 :: 3.152 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 129.099 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) ########################################################################### Overall Results: #Consistent: 44 #Clerical: 0 #Suspicious: 2 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 46 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 46 #Suspicious: 0 C Shift Results: #Consistent: 193 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 260 #Duplicate: 0 #Unknown: 0 #Suspicious: 4 #Anomalous: 0 N Shift Results: #Consistent: 46 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.A19 HB1 = 0.450(S), Expected = 1.38, Std = 0.2500, ChiSquare = 1.9922e-04 1.A19 HB2 = 0.450(S), Expected = 1.38, Std = 0.2500, ChiSquare = 1.9922e-04 1.A19 HB3 = 0.450(S), Expected = 1.38, Std = 0.2500, ChiSquare = 1.9922e-04 1.D40 HA = 3.140(S), Expected = 4.61, Std = 0.3100, ChiSquare = 2.1169e-06