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: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G7 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.78 C 0.21 C Shift Assignments>> CA :: 62.900 CB :: 32.314 CG :: 27.295 CD :: 49.713 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 :: 4.418 HB2 :: 2.238 HG2 :: 1.906 HD2 :: 3.602 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.L9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.7 C 0.2 A 0.03 R 0.03 G 0.01 C Shift Assignments>> CA :: 53.005 CB :: 41.779 CG :: 27.112 CD1 :: 25.270 CD2 :: 23.464 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 :: 8.348 HA :: 4.600 HB2 :: 1.595 HB3 :: 1.543 HG :: 1.716 HD11 :: 0.940 HD12 :: 0.940 HD13 :: 0.940 HD21 :: 0.925 HD22 :: 0.925 HD23 :: 0.925 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 :: 123.610 Ave N Shift Values>> N :: 121.98(4.07) 1.P10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.8 C 0.19 C Shift Assignments>> C :: 176.598 CA :: 63.128 CB :: 32.153 CG :: 27.542 CD :: 50.531 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 :: 4.438 HB2 :: 2.300 HB3 :: 1.899 HG2 :: 2.020 HG3 :: 2.020 HD2 :: 3.855 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.S11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.136 CA :: 58.138 CB :: 63.971 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.365 HA :: 4.481 HB2 :: 3.932 HB3 :: 3.816 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 :: 115.315 Ave N Shift Values>> N :: 116.3(3.95) 1.T12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 C Shift Assignments>> C :: 174.871 CA :: 61.894 CB :: 69.445 CG2 :: 21.773 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 :: 8.153 HA :: 4.426 HB :: 4.276 HG21 :: 1.123 HG22 :: 1.123 HG23 :: 1.123 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 :: 115.192 Ave N Shift Values>> N :: 115.7(5.05) 1.Q13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.25 C 0.24 K 0.23 E 0.12 M 0.08 R 0.04 C Shift Assignments>> C :: 175.796 CA :: 56.392 CB :: 29.438 CG :: 33.766 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 :: 8.301 HA :: 4.284 HB2 :: 2.056 HB3 :: 1.957 HG2 :: 2.319 HG3 :: 2.319 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 :: 122.150 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.N14 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.53 L 0.18 R 0.13 C 0.1 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> CA :: 44.653 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> HA2 :: 4.144 HA3 :: 4.076 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) 1.P16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.77 C 0.22 C Shift Assignments>> C :: 175.930 CA :: 62.775 CB :: 32.487 CG :: 27.213 CD :: 49.733 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 :: 4.412 HB2 :: 1.961 HB3 :: 1.470 HG2 :: 1.977 HG3 :: 1.977 HD2 :: 3.607 HD3 :: 3.607 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.V17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.62 C 0.37 C Shift Assignments>> C :: 173.672 CA :: 61.159 CB :: 34.310 CG1 :: 21.526 CG2 :: 21.251 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 :: 8.054 HA :: 4.196 HB :: 1.924 HG11 :: 0.880 HG12 :: 0.880 HG13 :: 0.880 HG21 :: 0.822 HG22 :: 0.822 HG23 :: 0.822 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 :: 120.517 Ave N Shift Values>> N :: 121.02(4.96) 1.F18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.53 C 0.39 G 0.06 C Shift Assignments>> C :: 174.184 CA :: 56.922 CB :: 42.790 CD1 :: 131.812 CD2 :: 131.812 CE1 :: 129.432 CE2 :: 129.432 CZ :: 131.207 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 :: 8.993 HA :: 5.521 HB2 :: 2.807 HB3 :: 2.622 HD1 :: 7.158 HD2 :: 7.158 HE1 :: 7.287 HE2 :: 7.287 HZ :: 7.320 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 :: 123.452 Ave N Shift Values>> N :: 120.69(4.18) 1.A19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.37 C 0.25 P 0.11 A 0.09 K 0.06 M 0.05 R 0.01 C Shift Assignments>> C :: 174.632 CA :: 50.221 CB :: 23.710 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.443 HA :: 5.340 HB1 :: 1.255 HB2 :: 1.255 HB3 :: 1.255 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.972 Ave N Shift Values>> N :: 123.23(3.7) 1.K20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.42 C 0.41 R 0.12 M 0.02 C Shift Assignments>> C :: 176.756 CA :: 53.625 CB :: 35.331 CG :: 24.857 CD :: 29.469 CE :: 41.553 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 :: 8.906 HA :: 5.406 HB2 :: 1.538 HB3 :: 1.365 HG2 :: 1.132 HG3 :: 1.132 HD2 :: 1.401 HD3 :: 1.346 HE2 :: 2.543 HE3 :: 2.326 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 :: 120.963 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.A21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.73 M 0.22 C 0.02 C Shift Assignments>> C :: 178.680 CA :: 52.760 CB :: 19.177 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.395 HA :: 4.798 HB1 :: 1.452 HB2 :: 1.452 HB3 :: 1.452 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.776 Ave N Shift Values>> N :: 123.23(3.7) 1.I22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.64 C 0.35 C Shift Assignments>> C :: 174.696 CA :: 60.607 CB :: 39.245 CG1 :: 26.636 CG2 :: 19.018 CD1 :: 14.142 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 :: 8.971 HA :: 4.468 HB :: 2.128 HG12 :: 1.025 HG13 :: 0.669 HG21 :: 0.873 HG22 :: 0.873 HG23 :: 0.873 HD11 :: 0.773 HD12 :: 0.773 HD13 :: 0.773 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 :: 118.560 Ave N Shift Values>> N :: 121.6(4.72) 1.Q23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.42 C 0.33 Q 0.15 E 0.05 K 0.03 C Shift Assignments>> C :: 172.615 CA :: 54.735 CB :: 32.240 CG :: 33.455 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 :: 7.445 HA :: 4.286 HB2 :: 1.471 HB3 :: 1.471 HG2 :: 2.161 HG3 :: 2.161 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 :: 121.904 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.K24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> K 0.37 C 0.37 R 0.2 M 0.04 C Shift Assignments>> CA :: 56.457 CB :: 33.766 CG :: 24.996 CD :: 29.969 CE :: 41.958 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 :: 8.343 HA :: 3.966 HB2 :: 1.900 HB3 :: 1.705 HG2 :: 1.647 HG3 :: 1.289 HD2 :: 1.718 HD3 :: 1.718 HE2 :: 2.989 HE3 :: 2.989 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) 1.R25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 K 0.43 R 0.11 G 0.01 C Shift Assignments>> CA :: 56.031 CB :: 34.153 CG :: 28.853 CD :: 42.353 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 :: 9.268 HA :: 4.682 HB2 :: 1.955 HB3 :: 1.925 HG2 :: 1.449 HG3 :: 1.386 HD2 :: 3.047 HD3 :: 2.773 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 :: 127.406 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.V26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.52 C 0.47 C Shift Assignments>> CA :: 59.628 CB :: 32.266 CG1 :: 20.705 CG2 :: 20.705 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>> HA :: 4.541 HB :: 2.116 HG11 :: 0.971 HG12 :: 0.971 HG13 :: 0.971 HG21 :: 0.957 HG22 :: 0.957 HG23 :: 0.957 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) 1.P27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.67 C 0.32 C Shift Assignments>> C :: 176.131 CA :: 62.169 CB :: 33.064 CG :: 27.213 CD :: 51.046 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 :: 4.344 HB2 :: 2.088 HB3 :: 1.929 HG2 :: 1.998 HG3 :: 1.502 HD2 :: 3.942 HD3 :: 3.791 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.C28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.16 C 0.13 W 0.12 R 0.12 K 0.11 Q 0.09 E 0.09 H 0.07 L 0.03 C Shift Assignments>> C :: 176.379 CA :: 59.354 CB :: 28.145 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.945 HA :: 4.267 HB2 :: 2.743 HB3 :: 2.743 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 122.320 Ave N Shift Values>> N :: 119.95(4.79) 1.A29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> M 0.47 A 0.46 C 0.03 I 0.02 C Shift Assignments>> C :: 177.994 CA :: 54.686 CB :: 18.509 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.717 HA :: 3.941 HB1 :: 1.242 HB2 :: 1.242 HB3 :: 1.242 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) 1.Y30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.5 C 0.48 H 0.01 C Shift Assignments>> C :: 175.285 CA :: 57.169 CB :: 37.397 CD1 :: 133.268 CD2 :: 133.268 CE1 :: 118.468 CE2 :: 118.468 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 :: 7.690 HA :: 4.516 HB2 :: 3.151 HB3 :: 3.151 HD1 :: 7.112 HD2 :: 7.112 HE1 :: 6.878 HE2 :: 6.878 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 :: 112.691 Ave N Shift Values>> N :: 120.79(4.69) 1.D31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 N 0.25 L 0.12 C 0.11 F 0.06 Y 0.05 K 0.04 C Shift Assignments>> C :: 176.563 CA :: 52.760 CB :: 40.523 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 :: 7.413 HA :: 4.798 HB2 :: 2.964 HB3 :: 2.318 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 :: 121.332 Ave N Shift Values>> N :: 120.73(4.2) 1.K32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.35 C 0.34 R 0.26 M 0.02 G 0.01 C Shift Assignments>> C :: 177.717 CA :: 57.521 CB :: 32.158 CG :: 24.894 CD :: 28.696 CE :: 42.255 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 :: 8.516 HA :: 4.293 HB2 :: 2.046 HB3 :: 1.885 HG2 :: 1.565 HG3 :: 1.565 HD2 :: 1.727 HD3 :: 1.727 HE2 :: 3.044 HE3 :: 3.044 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 :: 123.322 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.T33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.91 C 0.08 C Shift Assignments>> C :: 173.932 CA :: 61.559 CB :: 69.851 CG2 :: 21.911 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 :: 8.250 HA :: 4.545 HB :: 4.503 HG21 :: 1.235 HG22 :: 1.235 HG23 :: 1.235 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 :: 108.218 Ave N Shift Values>> N :: 115.7(5.05) 1.A34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.77 M 0.15 C 0.03 L 0.02 C Shift Assignments>> C :: 176.582 CA :: 51.931 CB :: 20.191 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.097 HA :: 4.534 HB1 :: 1.315 HB2 :: 1.315 HB3 :: 1.315 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.835 Ave N Shift Values>> N :: 123.23(3.7) 1.L35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.41 G 0.37 C 0.17 A 0.02 R 0.01 C Shift Assignments>> C :: 175.954 CA :: 54.101 CB :: 44.676 CG :: 25.978 CD1 :: 25.811 CD2 :: 23.586 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 :: 8.948 HA :: 4.345 HB2 :: 1.623 HB3 :: 0.958 HG :: 1.426 HD11 :: 0.636 HD12 :: 0.636 HD13 :: 0.636 HD21 :: 0.783 HD22 :: 0.783 HD23 :: 0.783 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 :: 124.512 Ave N Shift Values>> N :: 121.98(4.07) 1.A36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.82 M 0.14 C 0.02 C Shift Assignments>> C :: 176.822 CA :: 51.702 CB :: 19.218 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.616 HA :: 4.454 HB1 :: 1.399 HB2 :: 1.399 HB3 :: 1.399 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 129.840 Ave N Shift Values>> N :: 123.23(3.7) 1.L37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.42 L 0.29 C 0.26 A 0.01 C Shift Assignments>> C :: 175.959 CA :: 53.783 CB :: 46.471 CG :: 25.894 CD1 :: 25.235 CD2 :: 24.236 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 :: 8.536 HA :: 4.777 HB2 :: 1.679 HB3 :: 1.088 HG :: 1.375 HD11 :: 0.488 HD12 :: 0.488 HD13 :: 0.488 HD21 :: 0.539 HD22 :: 0.539 HD23 :: 0.539 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 :: 119.257 Ave N Shift Values>> N :: 121.98(4.07) 1.E38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 M 0.28 E 0.22 Q 0.06 K 0.03 C Shift Assignments>> C :: 175.724 CA :: 53.519 CB :: 31.292 CG :: 35.690 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 :: 8.948 HA :: 4.450 HB2 :: 1.935 HB3 :: 1.758 HG2 :: 2.356 HG3 :: 2.175 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 :: 123.623 Ave N Shift Values>> N :: 120.68(3.68) 1.V39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.93 C 0.06 C Shift Assignments>> C :: 177.949 CA :: 65.985 CB :: 30.692 CG1 :: 22.844 CG2 :: 21.361 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 :: 9.019 HA :: 2.933 HB :: 1.827 HG11 :: 0.784 HG12 :: 0.784 HG13 :: 0.784 HG21 :: 0.824 HG22 :: 0.824 HG23 :: 0.824 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 :: 122.089 Ave N Shift Values>> N :: 121.02(4.96) 1.G40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.52 L 0.18 R 0.13 C 0.1 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 174.317 CA :: 44.649 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.816 HA2 :: 4.493 HA3 :: 3.407 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 116.118 Ave N Shift Values>> N :: 109.91(4.29) 1.D41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.21 K 0.2 D 0.14 R 0.1 C 0.1 F 0.1 Y 0.08 N 0.01 C Shift Assignments>> C :: 175.329 CA :: 55.934 CB :: 41.852 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 :: 8.185 HA :: 4.414 HB2 :: 2.646 HB3 :: 2.347 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 :: 121.906 Ave N Shift Values>> N :: 120.73(4.2) 1.I42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.57 C 0.42 HN Overlap>> 1.K62 1.K62 C Shift Assignments>> C :: 174.934 CA :: 60.165 CB :: 37.023 CG1 :: 27.574 CG2 :: 17.818 CD1 :: 11.740 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 :: 8.555 HA :: 4.698 HB :: 2.037 HG12 :: 1.680 HG13 :: 1.297 HG21 :: 1.086 HG22 :: 1.086 HG23 :: 1.086 HD11 :: 0.822 HD12 :: 0.822 HD13 :: 0.822 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 :: 121.490 Ave N Shift Values>> N :: 121.6(4.72) 1.V43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.52 C 0.47 C Shift Assignments>> C :: 175.504 CA :: 60.113 CB :: 34.523 CG1 :: 21.278 CG2 :: 20.946 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 :: 9.499 HA :: 4.354 HB :: 1.745 HG11 :: 0.520 HG12 :: 0.520 HG13 :: 0.520 HG21 :: 0.459 HG22 :: 0.459 HG23 :: 0.459 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 :: 128.923 Ave N Shift Values>> N :: 121.02(4.96) 1.K44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.35 R 0.19 M 0.03 C Shift Assignments>> C :: 175.468 CA :: 55.581 CB :: 33.103 CG :: 24.987 CD :: 29.603 CE :: 42.017 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 :: 8.760 HA :: 4.382 HB2 :: 1.874 HB3 :: 1.788 HG2 :: 0.881 HG3 :: 0.881 HD2 :: 1.605 HD3 :: 1.605 HE2 :: 2.805 HE3 :: 2.805 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 :: 128.243 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.V45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.83 C 0.16 C Shift Assignments>> C :: 176.116 CA :: 63.605 CB :: 31.457 CG1 :: 22.103 CG2 :: 22.265 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 :: 9.102 HA :: 4.332 HB :: 2.024 HG11 :: 1.106 HG12 :: 1.106 HG13 :: 1.106 HG21 :: 0.745 HG22 :: 0.745 HG23 :: 0.745 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 :: 129.660 Ave N Shift Values>> N :: 121.02(4.96) 1.T46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.91 C 0.08 C Shift Assignments>> C :: 176.062 CA :: 62.581 CB :: 68.720 CG2 :: 22.513 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 :: 9.153 HA :: 4.312 HB :: 4.195 HG21 :: 1.093 HG22 :: 1.093 HG23 :: 1.093 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 :: 119.962 Ave N Shift Values>> N :: 115.7(5.05) 1.R47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 R 0.23 K 0.16 G 0.1 C Shift Assignments>> C :: 174.300 CA :: 57.173 CB :: 33.873 CG :: 27.460 CD :: 43.553 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 :: 7.643 HA :: 4.271 HB2 :: 1.744 HB3 :: 1.618 HG2 :: 1.499 HG3 :: 1.429 HD2 :: 3.161 HD3 :: 3.161 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 :: 120.845 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.M48 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> M 0.42 A 0.29 C 0.28 C Shift Assignments>> C :: 174.388 CA :: 53.994 CB :: 32.700 CG :: 31.321 CE :: 17.208 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.578 HA :: 3.197 HB2 :: 1.334 HB3 :: 1.070 HG2 :: 1.393 HG3 :: 0.136(A) HE1 :: 1.530 HE2 :: 1.530 HE3 :: 1.530 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 125.958 Ave N Shift Values>> N :: 120.1(3.88) 1.N49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.28 D 0.28 C 0.13 L 0.09 Y 0.08 F 0.08 K 0.01 C Shift Assignments>> C :: 174.404 CA :: 53.683 CB :: 39.784 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 :: 6.603 HA :: 4.657 HB2 :: 2.934 HB3 :: 2.810 HD21 :: 7.847 HD22 :: 7.265 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 :: 119.331 ND2 :: 114.176 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.I50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> I 0.79 C 0.2 C Shift Assignments>> C :: 176.135 CA :: 62.613 CB :: 38.176 CG1 :: 27.626 CG2 :: 17.800 CD1 :: 13.705 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 :: 7.302 HA :: 4.132 HB :: 1.939 HG12 :: 1.416 HG13 :: 1.271 HG21 :: 0.958 HG22 :: 0.958 HG23 :: 0.958 HD11 :: 0.855 HD12 :: 0.855 HD13 :: 0.855 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) 1.N51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.45 C 0.23 Y 0.08 D 0.07 E 0.05 F 0.04 M 0.03 HN Overlap>> 1.D79 1.D79 C Shift Assignments>> C :: 176.293 CA :: 53.201 CB :: 37.472 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 :: 8.363 HA :: 4.537 HB2 :: 3.118 HB3 :: 2.849 HD21 :: 7.399 HD22 :: 6.789 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 :: 119.647 ND2 :: 109.267 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.G52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.08 L 0.07 R 0.02 C Shift Assignments>> C :: 173.249 CA :: 45.619 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.143 HA2 :: 4.264 HA3 :: 3.662 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.238 Ave N Shift Values>> N :: 109.91(4.29) 1.Q53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.28 K 0.26 C 0.25 R 0.08 E 0.06 M 0.04 HN Overlap>> 1.E80 1.E80 C Shift Assignments>> C :: 175.066 CA :: 54.453 CB :: 28.516 CG :: 33.641 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 :: 8.106 HA :: 4.579 HB2 :: 1.956 HB3 :: 1.956 HG2 :: 2.239 HG3 :: 1.968 HE21 :: 7.331 HE22 :: 6.467 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 :: 120.813 NE2 :: 110.764 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.W54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.83 W 0.15 C Shift Assignments>> C :: 172.798 CA :: 54.470 CB :: 32.025 CD1 :: 122.386 CE3 :: 120.851 CZ2 :: 115.320 CZ3 :: 121.048 CH2 :: 125.679 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 :: 8.455 HA :: 4.886 HB2 :: 2.845 HB3 :: 2.086 HD1 :: 6.986 HE1 :: 9.830 HE3 :: 7.479 HZ2 :: 7.246 HZ3 :: 6.917 HH2 :: 7.272 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 :: 125.686 NE1 :: 127.340 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.E55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.74 M 0.14 E 0.1 C Shift Assignments>> C :: 176.514 CA :: 54.236 CB :: 33.656 CG :: 37.243 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 :: 8.630 HA :: 5.215 HB2 :: 2.061 HB3 :: 1.741 HG2 :: 2.197 HG3 :: 2.087 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 :: 118.751 Ave N Shift Values>> N :: 120.68(3.68) 1.G56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 C 0.15 L 0.04 C Shift Assignments>> C :: 170.788 CA :: 46.771 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.086 HA2 :: 5.164 HA3 :: 4.136 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.414 Ave N Shift Values>> N :: 109.91(4.29) 1.E57 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.8 M 0.14 E 0.04 C Shift Assignments>> C :: 176.036 CA :: 54.135 CB :: 34.631 CG :: 36.196 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 :: 8.810 HA :: 5.777(S) HB2 :: 1.991 HB3 :: 1.882 HG2 :: 2.146 HG3 :: 2.111 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 :: 117.509 Ave N Shift Values>> N :: 120.68(3.68) 1.V58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.57 C 0.41 I 0.01 C Shift Assignments>> C :: 175.222 CA :: 61.330 CB :: 34.631 CG1 :: 20.366 CG2 :: 22.510 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 :: 8.882 HA :: 4.472 HB :: 1.991 HG11 :: 0.933 HG12 :: 0.933 HG13 :: 0.933 HG21 :: 0.931 HG22 :: 0.931 HG23 :: 0.931 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 :: 123.735 Ave N Shift Values>> N :: 121.02(4.96) 1.N59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.31 C 0.23 Y 0.13 D 0.09 F 0.08 E 0.07 M 0.02 L 0.01 I 0.01 C Shift Assignments>> C :: 175.199 CA :: 54.416 CB :: 37.864 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 :: 9.377 HA :: 4.451 HB2 :: 3.129 HB3 :: 2.780 HD21 :: 7.622 HD22 :: 6.992 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 :: 126.051 ND2 :: 113.327 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.G60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.08 L 0.07 R 0.02 C Shift Assignments>> C :: 173.964 CA :: 45.648 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.816 HA2 :: 4.207 HA3 :: 3.665 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 104.538 Ave N Shift Values>> N :: 109.91(4.29) 1.R61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.39 C 0.33 K 0.19 G 0.07 C Shift Assignments>> C :: 174.421 CA :: 55.317 CB :: 31.768 CG :: 28.037 CD :: 43.366 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 :: 8.188 HA :: 4.597 HB2 :: 1.996 HB3 :: 1.812 HG2 :: 1.680 HG3 :: 1.640 HD2 :: 3.331 HD3 :: 3.331 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 :: 122.615 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.K62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 K 0.3 R 0.23 M 0.02 G 0.01 HN Overlap>> 1.I42 1.I42 C Shift Assignments>> C :: 176.878 CA :: 54.679 CB :: 36.133 CG :: 24.968 CD :: 29.617 CE :: 42.035 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 :: 8.492 HA :: 5.584 HB2 :: 1.858 HB3 :: 1.719 HG2 :: 1.400 HG3 :: 1.343 HD2 :: 1.657 HD3 :: 1.657 HE2 :: 2.913 HE3 :: 2.913 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 :: 121.504 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.G63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.1 L 0.06 R 0.01 C Shift Assignments>> C :: 170.900 CA :: 46.025 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.741 HA2 :: 4.254 HA3 :: 4.142 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.680 Ave N Shift Values>> N :: 109.91(4.29) 1.L64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.39 L 0.34 C 0.19 R 0.04 A 0.01 C Shift Assignments>> C :: 178.587 CA :: 53.624 CB :: 44.812 CG :: 27.872 CD1 :: 25.399 CD2 :: 23.885 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 :: 8.737 HA :: 5.744 HB2 :: 1.682 HB3 :: 1.371 HG :: 1.721 HD11 :: 0.854 HD12 :: 0.854 HD13 :: 0.854 HD21 :: 0.755 HD22 :: 0.755 HD23 :: 0.755 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 :: 119.636 Ave N Shift Values>> N :: 121.98(4.07) 1.F65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.72 F 0.26 C Shift Assignments>> C :: 170.162 CA :: 55.405 CB :: 38.790 CD1 :: 133.883 CD2 :: 133.883 CE1 :: 129.936 CE2 :: 129.936 CZ :: 128.708 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 :: 9.113 HA :: 5.009 HB2 :: 3.052 HB3 :: 2.624 HD1 :: 6.972 HD2 :: 6.972 HE1 :: 6.987 HE2 :: 6.987 HZ :: 7.283 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 :: 118.723 Ave N Shift Values>> N :: 120.69(4.18) 1.P66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.66 C 0.33 C Shift Assignments>> CA :: 61.559 CB :: 31.754 CG :: 27.100 CD :: 50.189 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 :: 4.756 HB2 :: 1.935 HB3 :: 1.935 HG2 :: 1.509 HG3 :: 1.509 HD2 :: 3.532 HD3 :: 3.170 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.F67 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.63 F 0.2 Y 0.16 C Shift Assignments>> C :: 174.757 CA :: 59.461 CB :: 35.207 CD1 :: 131.872 CD2 :: 131.872 CE1 :: 131.505 CE2 :: 131.505 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 :: 8.238 HA :: 3.407 HB2 :: 1.149(S) HB3 :: 0.990(S) HD1 :: 6.968 HD2 :: 6.968 HE1 :: 7.320 HE2 :: 7.320 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 :: 123.531 Ave N Shift Values>> N :: 120.69(4.18) 1.T68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.93 C 0.06 C Shift Assignments>> CA :: 62.246 CB :: 69.484 CG2 :: 21.908 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 :: 6.454 HA :: 3.616 HB :: 4.168 HG21 :: 0.699 HG22 :: 0.699 HG23 :: 0.699 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 :: 107.821 Ave N Shift Values>> N :: 115.7(5.05) 1.H69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> W 0.36 C 0.33 H 0.3 C Shift Assignments>> C :: 175.172 CA :: 57.652 CB :: 30.468 CE1 :: 139.052 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 :: 7.872 HA :: 4.211 HB2 :: 3.515 HB3 :: 2.905 HE1 :: 7.532 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) 1.V70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.84 V 0.09 A 0.03 I 0.02 C Shift Assignments>> C :: 173.331 CA :: 58.315 CB :: 36.114 CG1 :: 18.938 CG2 :: 21.361 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 :: 7.563 HA :: 5.456 HB :: 1.946 HG11 :: 0.932 HG12 :: 0.932 HG13 :: 0.932 HG21 :: 0.520 HG22 :: 0.520 HG23 :: 0.520 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 :: 109.882 Ave N Shift Values>> N :: 121.02(4.96) 1.K71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 K 0.28 R 0.23 M 0.02 G 0.02 C Shift Assignments>> C :: 176.478 CA :: 54.717 CB :: 36.114 CG :: 24.740 CD :: 29.603 CE :: 42.295 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 :: 8.743 HA :: 4.883 HB2 :: 1.813 HB3 :: 1.703 HG2 :: 1.488 HG3 :: 1.488 HD2 :: 1.746 HD3 :: 1.746 HE2 :: 3.002 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 :: 119.421 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.I72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.78 C 0.21 C Shift Assignments>> C :: 175.630 CA :: 62.563 CB :: 37.976 CG1 :: 28.824 CG2 :: 17.404 CD1 :: 12.954 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 :: 9.198 HA :: 4.482 HB :: 1.977 HG12 :: 1.916 HG13 :: 1.432 HG21 :: 1.131 HG22 :: 1.131 HG23 :: 1.131 HD11 :: 1.100 HD12 :: 1.100 HD13 :: 1.100 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 :: 129.044 Ave N Shift Values>> N :: 121.6(4.72) 1.F73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.59 C 0.39 C Shift Assignments>> C :: 172.184 CA :: 55.987 CB :: 41.721 CD1 :: 131.959 CD2 :: 131.959 CE1 :: 129.488 CE2 :: 129.488 CZ :: 130.971 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 :: 8.737 HA :: 4.977 HB2 :: 3.132 HB3 :: 2.992 HD1 :: 7.158 HD2 :: 7.158 HE1 :: 7.233 HE2 :: 7.233 HZ :: 7.235 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 :: 126.695 Ave N Shift Values>> N :: 120.69(4.18) 1.D74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 C 0.19 L 0.16 N 0.13 G 0.09 R 0.04 K 0.04 F 0.02 Y 0.01 C Shift Assignments>> C :: 175.335 CA :: 50.080 CB :: 42.137 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 :: 8.626 HA :: 4.995 HB2 :: 2.906 HB3 :: 2.552 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 :: 122.496 Ave N Shift Values>> N :: 120.73(4.2) 1.P75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.84 C 0.15 C Shift Assignments>> C :: 177.385 CA :: 63.718 CB :: 32.159 CG :: 27.189 CD :: 50.899 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 :: 4.199 HB2 :: 2.131 HB3 :: 1.815 HG2 :: 1.668 HG3 :: 1.499 HD2 :: 3.830 HD3 :: 3.604 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.Q76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 Q 0.24 K 0.21 E 0.17 M 0.06 R 0.02 I 0.01 C Shift Assignments>> C :: 175.748 CA :: 56.065 CB :: 29.226 CG :: 34.470 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 :: 8.203 HA :: 4.225 HB2 :: 2.152 HB3 :: 2.040 HG2 :: 2.373 HG3 :: 2.303 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 :: 115.728 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.N77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.5 D 0.22 C 0.14 L 0.04 Y 0.03 F 0.03 C Shift Assignments>> CA :: 51.119 CB :: 39.456 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 :: 7.842 HA :: 5.021 HB2 :: 2.844 HB3 :: 2.603 HD21 :: 7.805 HD22 :: 6.986 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 :: 118.546 ND2 :: 113.606 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.P78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.87 C 0.12 C Shift Assignments>> C :: 176.891 CA :: 64.045 CB :: 32.158 CG :: 27.048 CD :: 50.526 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 :: 4.419 HB2 :: 2.243 HB3 :: 1.976 HG2 :: 1.988 HG3 :: 1.988 HD2 :: 3.712 HD3 :: 3.627 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.D79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.26 L 0.19 K 0.13 C 0.11 F 0.09 N 0.08 Y 0.07 R 0.03 HN Overlap>> 1.N51 1.N51 C Shift Assignments>> C :: 176.496 CA :: 54.489 CB :: 41.154 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 :: 8.308 HA :: 4.608 HB2 :: 2.749 HB3 :: 2.597 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 :: 119.575 Ave N Shift Values>> N :: 120.73(4.2) 1.E80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.34 M 0.09 K 0.08 I 0.05 Q 0.05 HN Overlap>> 1.Q53 1.Q53 C Shift Assignments>> C :: 176.378 CA :: 56.921 CB :: 30.187 CG :: 36.209 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 :: 8.167 HA :: 4.252 HB2 :: 2.093 HB3 :: 1.966 HG2 :: 2.259 HG3 :: 2.259 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 :: 120.815 Ave N Shift Values>> N :: 120.68(3.68) 1.N81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.35 D 0.23 C 0.14 Y 0.09 F 0.08 L 0.06 C Shift Assignments>> C :: 175.369 CA :: 53.554 CB :: 39.274 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 :: 8.406 HA :: 4.693 HB2 :: 2.832 HB3 :: 2.771 HD21 :: 7.649 HD22 :: 6.939 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 :: 119.104 ND2 :: 113.433 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.E82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.25 C 0.24 K 0.22 E 0.13 M 0.1 R 0.03 C Shift Assignments>> C :: 176.549 CA :: 56.886 CB :: 29.687 CG :: 33.813 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 :: 8.377 HA :: 4.315 HB2 :: 2.108 HG2 :: 2.272 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 :: 121.340 Ave N Shift Values>> N :: 120.68(3.68) 1.S83 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G84 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P85 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S86 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S87 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G88 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable ########################################################################### Overall Results: #Consistent: 85 #Clerical: 0 #Suspicious: 2 #Anomalous: 1 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 74 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 14 Shift Relative Order (SRO) Results: #Consistent: 88 #Suspicious: 0 C Shift Results: #Consistent: 327 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 516 #Duplicate: 0 #Unknown: 0 #Suspicious: 3 #Anomalous: 1 N Shift Results: #Consistent: 68 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.M48 HG3 = 0.136(A), Expected = 2.41, Std = 0.4000, ChiSquare = 1.3081e-08 1.E57 HA = 5.777(S), Expected = 4.26, Std = 0.4300, ChiSquare = 4.1886e-04 1.F67 HB2 = 1.149(S), Expected = 2.99, Std = 0.3700, ChiSquare = 6.5020e-07 1.F67 HB3 = 0.990(S), Expected = 2.97, Std = 0.3800, ChiSquare = 1.8831e-07