Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 174.842 CA :: 58.438 CB :: 63.772 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> HA :: 4.485 HB2 :: 3.901 HB3 :: 3.901 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) 1.G7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.83 L 0.13 F 0.01 C Shift Assignments>> C :: 173.657 CA :: 45.085 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.397 HA2 :: 3.937 HA3 :: 3.937 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.598 Ave N Shift Values>> N :: 109.91(4.29) 1.L8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.88 A 0.08 G 0.02 HN Overlap>> 1.E31 1.E31 C Shift Assignments>> C :: 177.001 CA :: 54.452 CB :: 42.202 CG :: 26.899 CD1 :: 25.196 CD2 :: 22.782 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 :: 8.005 HA :: 4.468 HB2 :: 1.536 HB3 :: 1.582 HG :: 1.565 HD11 :: 0.837 HD12 :: 0.837 HD13 :: 0.837 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 :: 121.156 Ave N Shift Values>> N :: 121.98(4.07) 1.E9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.83 I 0.06 K 0.05 Q 0.05 C Shift Assignments>> C :: 175.342 CA :: 56.293 CB :: 31.539 CG :: 36.459 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 :: 8.661 HA :: 4.383 HB2 :: 1.986 HB3 :: 2.162 HG2 :: 2.363 HG3 :: 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 :: 122.240 Ave N Shift Values>> N :: 120.68(3.68) 1.Q10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.4 E 0.39 K 0.19 C Shift Assignments>> C :: 175.460 CA :: 55.225 CB :: 30.986 CG :: 34.613 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 :: 8.328 HA :: 5.445 HB2 :: 1.764 HB3 :: 1.978 HG2 :: 2.360 HG3 :: 2.360 HE21 :: 6.702 HE22 :: 8.039 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 :: 120.403 NE2 :: 114.099 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.Y11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.86 G 0.13 C Shift Assignments>> C :: 173.051 CA :: 56.548 CB :: 42.943 CD1 :: 133.170 CD2 :: 133.170 CE1 :: 117.871 CE2 :: 117.871 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 :: 9.161 HA :: 4.906 HB2 :: 2.699 HB3 :: 2.777 HD1 :: 6.892 HD2 :: 6.892 HE1 :: 6.931 HE2 :: 6.931 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 :: 124.001 Ave N Shift Values>> N :: 120.79(4.69) 1.V12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.98 C Shift Assignments>> C :: 174.789 CA :: 59.543 CB :: 34.369 CG1 :: 21.660 CG2 :: 20.558 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.405 HA :: 4.954 HB :: 1.874 HG11 :: 0.903 HG12 :: 0.903 HG13 :: 0.903 HG21 :: 0.857 HG22 :: 0.857 HG23 :: 0.857 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 119.982 Ave N Shift Values>> N :: 121.02(4.96) 1.V13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 178.712 CA :: 62.297 CB :: 31.811 CG1 :: 23.256 CG2 :: 23.386 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.764 HA :: 4.455 HB :: 2.268 HG11 :: 0.910 HG12 :: 0.910 HG13 :: 0.910 HG21 :: 0.967 HG22 :: 0.967 HG23 :: 0.967 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 126.271 Ave N Shift Values>> N :: 121.02(4.96) 1.V14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.434 CA :: 63.138 CB :: 32.592 CG1 :: 21.590 CG2 :: 19.438 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.133 HA :: 4.156 HB :: 2.080 HG11 :: 0.873 HG12 :: 0.873 HG13 :: 0.873 HG21 :: 0.800 HG22 :: 0.800 HG23 :: 0.800 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 126.385 Ave N Shift Values>> N :: 121.02(4.96) 1.S15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 170.919 CA :: 56.914 CB :: 65.300 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.350 HA :: 4.595 HB2 :: 3.648 HB3 :: 3.751 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 :: 113.862 Ave N Shift Values>> N :: 116.3(3.95) 1.N16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.5 D 0.17 Y 0.13 F 0.09 E 0.04 L 0.03 I 0.01 C Shift Assignments>> C :: 174.802 CA :: 53.784 CB :: 38.263 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 :: 8.474 HA :: 4.584 HB2 :: 2.792 HB3 :: 2.792 HD21 :: 7.621 HD22 :: 6.921 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 :: 118.846 ND2 :: 112.234 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.Y17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 173.881 CA :: 57.908 CB :: 41.379 CD1 :: 132.734 CD2 :: 132.734 CE1 :: 117.491 CE2 :: 117.491 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 :: 8.712 HA :: 4.467 HB2 :: 2.387 HB3 :: 2.387 HD1 :: 6.745 HD2 :: 6.745 HE1 :: 6.774 HE2 :: 6.774 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 :: 121.709 Ave N Shift Values>> N :: 120.79(4.69) 1.K18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.96 A 0.02 G 0.01 C Shift Assignments>> C :: 174.012 CA :: 53.761 CB :: 33.085 CG :: 24.152 CD :: 28.814 CE :: 41.900 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 :: 7.353 HA :: 4.376 HB2 :: 1.442 HB3 :: 1.502 HG2 :: 1.255 HG3 :: 1.255 HD2 :: 1.594 HD3 :: 1.594 HE2 :: 2.936 HE3 :: 2.936 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 :: 129.238 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.96 G 0.02 A 0.01 C Shift Assignments>> C :: 175.987 CA :: 56.841 CB :: 33.003 CG :: 23.384 CD :: 29.842 CE :: 42.085 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 :: 8.215 HA :: 4.114 HB2 :: 1.967 HB3 :: 1.596 HG2 :: 1.155 HG3 :: 1.314 HD2 :: 1.635 HD3 :: 1.720 HE2 :: 3.115 HE3 :: 2.958 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 :: 124.304 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Q20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.47 K 0.29 E 0.21 C Shift Assignments>> C :: 175.381 CA :: 55.185 CB :: 30.490 CG :: 33.860 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 :: 8.964 HA :: 4.382 HB2 :: 2.309 HB3 :: 2.309 HG2 :: 2.432 HG3 :: 2.562 HE21 :: 7.560 HE22 :: 6.851 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 :: 121.978 NE2 :: 113.556 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.E21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> E 0.69 Q 0.22 K 0.06 I 0.01 C Shift Assignments>> CA :: 54.902 CB :: 32.074 CG :: 35.441 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 :: 7.405 HA :: 4.483 HB2 :: 1.791 HB3 :: 2.187 HG2 :: 2.258 HG3 :: 2.258 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) 1.N22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.29 F 0.21 N 0.17 D 0.11 E 0.1 I 0.05 L 0.03 C Shift Assignments>> C :: 175.552 CA :: 55.996 CB :: 38.319 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>> HA :: 4.441 HB2 :: 2.913 HB3 :: 2.913 HD21 :: 7.723 HD22 :: 7.018 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>> ND2 :: 113.180 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.S23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.894 CA :: 58.530 CB :: 63.135 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.115 HA :: 4.699 HB2 :: 4.344 HB3 :: 4.074 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 :: 111.564 Ave N Shift Values>> N :: 116.3(3.95) 1.E24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.91 Q 0.03 I 0.03 K 0.01 C Shift Assignments>> C :: 175.184 CA :: 55.404 CB :: 32.582 CG :: 36.604 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 :: 7.799 HA :: 5.532 HB2 :: 2.401 HB3 :: 2.708 HG2 :: 2.312 HG3 :: 2.586 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 :: 122.170 Ave N Shift Values>> N :: 120.68(3.68) 1.L25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 G 0.44 C Shift Assignments>> C :: 175.289 CA :: 53.664 CB :: 44.606 CG :: 26.448 CD1 :: 25.659 CD2 :: 24.702 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 :: 7.498 HA :: 4.654 HB2 :: 1.182 HB3 :: 1.387 HG :: 1.307 HD11 :: 0.650 HD12 :: 0.650 HD13 :: 0.650 HD21 :: 0.604 HD22 :: 0.604 HD23 :: 0.604 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 :: 118.827 Ave N Shift Values>> N :: 121.98(4.07) 1.S26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.696 CA :: 57.814 CB :: 63.772 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.105 HA :: 4.979 HB2 :: 3.998 HB3 :: 3.809 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 :: 116.438 Ave N Shift Values>> N :: 116.3(3.95) 1.L27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.41 A 0.35 L 0.23 C Shift Assignments>> C :: 175.947 CA :: 53.164 CB :: 47.735 CG :: 25.913 CD1 :: 26.054 CD2 :: 23.089 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 :: 9.010 HA :: 4.854 HB2 :: 1.598 HB3 :: 1.598 HG :: 1.555 HD11 :: 0.752 HD12 :: 0.752 HD13 :: 0.752 HD21 :: 0.761 HD22 :: 0.761 HD23 :: 0.761 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 :: 122.227 Ave N Shift Values>> N :: 121.98(4.07) 1.Q28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.56 K 0.23 E 0.19 C Shift Assignments>> C :: 174.749 CA :: 53.185 CB :: 30.977 CG :: 33.929 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 :: 9.298 HA :: 4.741 HB2 :: 1.889 HB3 :: 2.018 HG2 :: 2.356 HG3 :: 2.318 HE21 :: 6.746 HE22 :: 7.577 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 :: 122.063 NE2 :: 112.034 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.A29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.98 I 0.01 C Shift Assignments>> C :: 178.198 CA :: 53.351 CB :: 17.684 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.536 HA :: 3.586 HB1 :: 1.235 HB2 :: 1.235 HB3 :: 1.235 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.985 Ave N Shift Values>> N :: 123.23(3.7) 1.G30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.72 L 0.21 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 174.328 CA :: 44.743 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.099 HA2 :: 4.404 HA3 :: 3.509 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.643 Ave N Shift Values>> N :: 109.91(4.29) 1.E31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.77 I 0.14 K 0.06 Q 0.01 HN Overlap>> 1.L8 1.L8 C Shift Assignments>> C :: 173.788 CA :: 56.848 CB :: 30.665 CG :: 37.119 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 :: 7.940 HA :: 4.386 HB2 :: 2.308 HB3 :: 1.987 HG2 :: 2.319 HG3 :: 2.407 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 :: 121.087 Ave N Shift Values>> N :: 120.68(3.68) 1.V32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 176.619 CA :: 61.156 CB :: 33.109 CG1 :: 21.542 CG2 :: 21.275 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.239 HA :: 4.931 HB :: 1.918 HG11 :: 0.867 HG12 :: 0.867 HG13 :: 0.867 HG21 :: 0.959 HG22 :: 0.959 HG23 :: 0.959 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120.484 Ave N Shift Values>> N :: 121.02(4.96) 1.V33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.79 A 0.16 I 0.03 C Shift Assignments>> C :: 173.894 CA :: 57.978 CB :: 34.607 CG1 :: 21.907 CG2 :: 19.174 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.223 HA :: 4.976 HB :: 1.991 HG11 :: 0.691 HG12 :: 0.691 HG13 :: 0.691 HG21 :: 0.718 HG22 :: 0.718 HG23 :: 0.718 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 118.931 Ave N Shift Values>> N :: 121.02(4.96) 1.D34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.34 D 0.33 K 0.12 N 0.08 F 0.05 Y 0.03 G 0.03 HN Overlap>> 1.N64 1.N64 C Shift Assignments>> C :: 176.276 CA :: 52.793 CB :: 42.411 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 :: 8.550 HA :: 5.262 HB2 :: 2.606 HB3 :: 2.422 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 :: 120.736 Ave N Shift Values>> N :: 120.73(4.2) 1.V35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 174.460 CA :: 63.352 CB :: 31.641 CG1 :: 21.929 CG2 :: 22.786 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.926 HA :: 3.971 HB :: 1.900 HG11 :: 0.324 HG12 :: 0.324 HG13 :: 0.324 HG21 :: 0.811 HG22 :: 0.811 HG23 :: 0.811 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 122.494 Ave N Shift Values>> N :: 121.02(4.96) 1.I36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 176.290 CA :: 62.666 CB :: 38.636 CG1 :: 28.164 CG2 :: 17.198 CD1 :: 13.022 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 :: 8.877 HA :: 4.006 HB :: 1.673 HG12 :: 1.015 HG13 :: 1.418 HG21 :: 0.954 HG22 :: 0.954 HG23 :: 0.954 HD11 :: 0.637 HD12 :: 0.637 HD13 :: 0.637 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 :: 129.400 Ave N Shift Values>> N :: 121.6(4.72) 1.E37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.9 Q 0.06 I 0.02 C Shift Assignments>> C :: 173.999 CA :: 55.447 CB :: 33.685 CG :: 36.169 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 :: 7.933 HA :: 4.507 HB2 :: 1.930 HB3 :: 1.930 HG2 :: 2.096 HG3 :: 2.270 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 :: 117.683 Ave N Shift Values>> N :: 120.68(3.68) 1.K38 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> K 0.96 A 0.02 C Shift Assignments>> C :: 175.118 CA :: 54.613 CB :: 33.337 CG :: 23.870 CD :: 29.918 CE :: 41.323 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 :: 8.573 HA :: 3.728 HB2 :: 1.293 HB3 :: 0.989 HG2 :: -1.276(A) HG3 :: 0.341(S) HD2 :: 1.068 HD3 :: 0.942 HE2 :: 1.678(S) HE3 :: 2.270(S) 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 :: 125.801 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.N39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 L 0.26 K 0.14 N 0.11 F 0.07 Y 0.05 C Shift Assignments>> C :: 176.421 CA :: 53.530 CB :: 41.632 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 :: 7.596 HA :: 5.073 HB2 :: 3.113 HB3 :: 3.758 HD21 :: 8.038 HD22 :: 7.109 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 :: 121.254 ND2 :: 114.625 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.E40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.51 I 0.19 K 0.19 Q 0.1 C Shift Assignments>> C :: 176.592 CA :: 58.415 CB :: 29.110 CG :: 35.967 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 :: 9.349 HA :: 4.302 HB2 :: 2.234 HB3 :: 2.149 HG2 :: 2.413 HG3 :: 2.413 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 :: 126.548 Ave N Shift Values>> N :: 120.68(3.68) 1.S41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.605 CA :: 59.409 CB :: 63.785 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.285 HA :: 4.403 HB2 :: 4.076 HB3 :: 4.176 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 :: 116.816 Ave N Shift Values>> N :: 116.3(3.95) 1.G42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.77 L 0.17 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 172.985 CA :: 44.900 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.321 HA2 :: 3.713 HA3 :: 4.434 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.439 Ave N Shift Values>> N :: 109.91(4.29) 1.W43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.99 C Shift Assignments>> C :: 174.262 CA :: 56.825 CB :: 30.106 CD1 :: 126.178 CE3 :: 119.192 CZ2 :: 114.391 CZ3 :: 121.291 CH2 :: 125.635 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 :: 8.195 HA :: 5.007 HB2 :: 2.964 HB3 :: 3.288 HD1 :: 6.963 HE1 :: 10.103 HE3 :: 7.341 HZ2 :: 7.474 HZ3 :: 6.936 HH2 :: 7.314 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 :: 123.391 NE1 :: 129.505 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.W44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.99 C Shift Assignments>> C :: 173.578 CA :: 53.115 CB :: 32.252 CD1 :: 121.934 CE3 :: 121.153 CZ2 :: 113.974 CZ3 :: 120.897 CH2 :: 124.664 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 :: 9.799 HA :: 5.846 HB2 :: 2.874 HB3 :: 2.977 HD1 :: 7.305 HE1 :: 10.286 HE3 :: 6.742 HZ2 :: 7.374 HZ3 :: 5.400 HH2 :: 6.970 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 :: 123.559 NE1 :: 127.692 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.F45 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> C :: 175.078 CA :: 56.417 CB :: 39.217 CD1 :: 130.625 CD2 :: 130.625 CE1 :: 130.555 CE2 :: 130.555 CZ :: 129.202 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 9.049 HA :: 4.375 HB2 :: 0.771(S) HB3 :: 2.326 HD1 :: 5.723 HD2 :: 5.723 HE1 :: 7.071 HE2 :: 7.071 HZ :: 7.094 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 126.724 Ave N Shift Values>> N :: 120.69(4.18) 1.V46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.73 A 0.19 I 0.06 C Shift Assignments>> C :: 172.696 CA :: 58.090 CB :: 35.341 CG1 :: 21.675 CG2 :: 18.999 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.674 HA :: 5.239 HB :: 2.096 HG11 :: 0.876 HG12 :: 0.876 HG13 :: 0.876 HG21 :: 0.700 HG22 :: 0.700 HG23 :: 0.700 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 121.031 Ave N Shift Values>> N :: 121.02(4.96) 1.S47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.91 T 0.08 C Shift Assignments>> C :: 175.250 CA :: 55.719 CB :: 66.371 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.024 HA :: 5.391 HB2 :: 3.715 HB3 :: 3.753 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 :: 110.896 Ave N Shift Values>> N :: 116.3(3.95) 1.T48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.105 CA :: 60.025 CB :: 70.521 CG2 :: 22.004 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 :: 8.915 HA :: 4.955 HB :: 4.850 HG21 :: 1.217 HG22 :: 1.217 HG23 :: 1.217 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 :: 116.283 Ave N Shift Values>> N :: 115.7(5.05) 1.S49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.065 CA :: 61.364 CB :: 62.562 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.842 HA :: 4.233 HB2 :: 4.050 HB3 :: 4.050 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 :: 114.611 Ave N Shift Values>> N :: 116.3(3.95) 1.E50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.87 Q 0.06 I 0.04 K 0.01 C Shift Assignments>> C :: 175.631 CA :: 56.706 CB :: 32.707 CG :: 36.178 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 :: 8.019 HA :: 4.509 HB2 :: 2.159 HB3 :: 1.868 HG2 :: 2.211 HG3 :: 2.211 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 :: 116.195 Ave N Shift Values>> N :: 120.68(3.68) 1.E51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.94 Q 0.03 I 0.02 C Shift Assignments>> C :: 173.459 CA :: 54.950 CB :: 34.713 CG :: 36.419 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 :: 7.758 HA :: 4.715 HB2 :: 2.064 HB3 :: 1.824 HG2 :: 2.168 HG3 :: 2.168 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 :: 117.967 Ave N Shift Values>> N :: 120.68(3.68) 1.Q52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.63 K 0.22 E 0.13 C Shift Assignments>> C :: 175.052 CA :: 53.876 CB :: 31.616 CG :: 33.092 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 :: 8.260 HA :: 5.372 HB2 :: 1.743 HB3 :: 1.743 HG2 :: 2.239 HG3 :: 2.239 HE21 :: 7.302 HE22 :: 6.736 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 :: 115.757 NE2 :: 110.672 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.G53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.9 L 0.08 C Shift Assignments>> C :: 169.957 CA :: 45.698 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.147 HA2 :: 3.968 HA3 :: 3.915 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.657 Ave N Shift Values>> N :: 109.91(4.29) 1.W54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.99 C Shift Assignments>> C :: 176.540 CA :: 56.934 CB :: 31.311 CD1 :: 127.881 CE3 :: 120.312 CZ2 :: 115.011 CZ3 :: 122.184 CH2 :: 124.068 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 :: 8.576 HA :: 5.662 HB2 :: 3.105 HB3 :: 3.434 HD1 :: 7.526 HE1 :: 10.238 HE3 :: 7.581 HZ2 :: 7.282 HZ3 :: 7.250 HH2 :: 7.197 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 :: 120.439 NE1 :: 130.517 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.V55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.79 A 0.17 I 0.03 C Shift Assignments>> C :: 171.853 CA :: 57.808 CB :: 34.919 CG1 :: 22.264 CG2 :: 19.874 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.637 HA :: 4.906 HB :: 1.747 HG11 :: 0.896 HG12 :: 0.896 HG13 :: 0.896 HG21 :: 0.638 HG22 :: 0.638 HG23 :: 0.638 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 115.242 Ave N Shift Values>> N :: 121.02(4.96) 1.P56 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.804 CA :: 61.473 CB :: 30.012 CG :: 27.110 CD :: 50.180 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 :: 3.757 HB2 :: 1.392 HB3 :: 1.392 HG2 :: 1.185 HG3 :: 0.341(S) HD2 :: 2.789 HD3 :: 2.209(S) 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.A57 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.9 I 0.09 C Shift Assignments>> C :: 178.370 CA :: 54.337 CB :: 15.633 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.027 HA :: 2.669(S) HB1 :: -0.170(S) HB2 :: -0.170(S) HB3 :: -0.170(S) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.339 Ave N Shift Values>> N :: 123.23(3.7) 1.T58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.513 CA :: 62.887 CB :: 68.382 CG2 :: 21.692 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 :: 7.037 HA :: 3.876 HB :: 4.042 HG21 :: 1.056 HG22 :: 1.056 HG23 :: 1.056 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 :: 104.238 Ave N Shift Values>> N :: 115.7(5.05) 1.Y59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 173.341 CA :: 59.529 CB :: 36.926 CD1 :: 132.842 CD2 :: 132.842 CE1 :: 117.923 CE2 :: 117.923 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 :: 7.431 HA :: 4.132 HB2 :: 2.586 HB3 :: 3.317 HD1 :: 7.046 HD2 :: 7.046 HE1 :: 6.766 HE2 :: 6.766 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 :: 119.901 Ave N Shift Values>> N :: 120.79(4.69) 1.L60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.64 L 0.34 C Shift Assignments>> C :: 175.921 CA :: 53.179 CB :: 45.129 CG :: 26.778 CD1 :: 26.495 CD2 :: 24.503 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 :: 7.505 HA :: 5.383 HB2 :: 1.567 HB3 :: 1.332 HG :: 1.316 HD11 :: 0.567 HD12 :: 0.567 HD13 :: 0.567 HD21 :: 0.668 HD22 :: 0.668 HD23 :: 0.668 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 :: 119.512 Ave N Shift Values>> N :: 121.98(4.07) 1.E61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.89 Q 0.08 I 0.01 C Shift Assignments>> C :: 174.354 CA :: 54.659 CB :: 33.557 CG :: 36.048 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 :: 9.289 HA :: 4.743 HB2 :: 1.866 HB3 :: 1.866 HG2 :: 2.191 HG3 :: 2.220 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 :: 120.441 Ave N Shift Values>> N :: 120.68(3.68) 1.A62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.99 C Shift Assignments>> C :: 177.672 CA :: 52.693 CB :: 18.259 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.761 HA :: 3.236 HB1 :: 1.151 HB2 :: 1.151 HB3 :: 1.151 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 128.117 Ave N Shift Values>> N :: 123.23(3.7) 1.Q63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.41 K 0.32 E 0.25 C Shift Assignments>> C :: 175.329 CA :: 56.062 CB :: 29.988 CG :: 34.075 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 :: 8.150 HA :: 4.257 HB2 :: 1.735 HB3 :: 1.961 HG2 :: 2.213 HG3 :: 2.213 HE21 :: 7.298 HE22 :: 6.768 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 :: 120.853 NE2 :: 110.969 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.N64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.54 D 0.23 Y 0.08 F 0.07 L 0.04 E 0.01 HN Overlap>> 1.D34 1.D34 C Shift Assignments>> C :: 174.802 CA :: 52.908 CB :: 38.888 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 :: 8.570 HA :: 4.762 HB2 :: 2.830 HB3 :: 2.757 HD21 :: 7.616 HD22 :: 6.894 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 :: 120.731 ND2 :: 113.056 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.S65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.433 CA :: 58.138 CB :: 63.755 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.372 HA :: 4.512 HB2 :: 3.882 HB3 :: 3.882 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 :: 116.814 Ave N Shift Values>> N :: 116.3(3.95) 1.G66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.62 L 0.29 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 171.616 CA :: 44.478 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.287 HA2 :: 4.099 HA3 :: 4.148 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.639 Ave N Shift Values>> N :: 109.91(4.29) 1.P67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.251 CA :: 63.023 CB :: 31.950 CG :: 26.896 CD :: 49.605 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 :: 4.489 HB2 :: 1.978 HB3 :: 2.303 HG2 :: 2.019 HG3 :: 2.019 HD2 :: 3.628 HD3 :: 3.628 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.S68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.539 CA :: 58.115 CB :: 63.581 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.523 HA :: 4.518 HB2 :: 3.918 HB3 :: 3.918 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 :: 116.378 Ave N Shift Values>> N :: 116.3(3.95) 1.S69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.788 CA :: 58.161 CB :: 63.899 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.340 HA :: 4.509 HB2 :: 3.901 HB3 :: 3.901 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 :: 117.829 Ave N Shift Values>> N :: 116.3(3.95) 1.G70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.9 L 0.07 C Shift Assignments>> C :: 178.804 CA :: 45.818 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.047 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 116.803 Ave N Shift Values>> N :: 109.91(4.29) ########################################################################### Overall Results: #Consistent: 66 #Clerical: 0 #Suspicious: 3 #Anomalous: 1 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 65 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 5 Shift Relative Order (SRO) Results: #Consistent: 70 #Suspicious: 0 C Shift Results: #Consistent: 280 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 426 #Duplicate: 0 #Unknown: 0 #Suspicious: 10 #Anomalous: 1 N Shift Results: #Consistent: 72 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.K38 HG2 = -1.276(A), Expected = 1.38, Std = 0.2700, ChiSquare = 7.7973e-23 1.K38 HG3 = 0.341(S), Expected = 1.37, Std = 0.2900, ChiSquare = 3.8776e-04 1.K38 HE2 = 1.678(S), Expected = 2.93, Std = 0.2000, ChiSquare = 3.8498e-10 1.K38 HE3 = 2.270(S), Expected = 2.93, Std = 0.2000, ChiSquare = 9.6685e-04 1.F45 HB2 = 0.771(S), Expected = 2.99, Std = 0.3700, ChiSquare = 2.0063e-09 1.P56 HG3 = 0.341(S), Expected = 1.92, Std = 0.3700, ChiSquare = 1.9762e-05 1.P56 HD3 = 2.209(S), Expected = 3.63, Std = 0.4000, ChiSquare = 3.8159e-04 1.A57 HA = 2.669(S), Expected = 4.26, Std = 0.4200, ChiSquare = 1.5181e-04 1.A57 HB1 = -0.170(S), Expected = 1.38, Std = 0.2500, ChiSquare = 5.6463e-10 1.A57 HB2 = -0.170(S), Expected = 1.38, Std = 0.2500, ChiSquare = 5.6463e-10 1.A57 HB3 = -0.170(S), Expected = 1.38, Std = 0.2500, ChiSquare = 5.6463e-10