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: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 174.941 CA :: 58.696 CB :: 63.798 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> HA :: 4.506 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) 1.G4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.78 L 0.08 C 0.07 R 0.03 C Shift Assignments>> C :: 173.802 CA :: 45.364 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> HA2 :: 4.001 HA3 :: 4.092 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) 1.S5 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 :: 173.827 CA :: 57.876 CB :: 65.255 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.151 HA :: 4.907 HB2 :: 3.657 HB3 :: 3.657 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 :: 116.143 Ave N Shift Values>> N :: 116.3(3.95) 1.S6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.97 T 0.02 C Shift Assignments>> C :: 173.111 CA :: 57.962 CB :: 65.502 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.762 HA :: 4.636 HB2 :: 3.701 HB3 :: 3.744 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 :: 117.093 Ave N Shift Values>> N :: 116.3(3.95) 1.G7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.58 L 0.16 R 0.1 C 0.09 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 173.135 CA :: 44.765 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.243 HA2 :: 4.644 HA3 :: 3.531 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.444 Ave N Shift Values>> N :: 109.91(4.29) 1.C8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.21 K 0.18 M 0.14 Q 0.1 R 0.09 V 0.08 E 0.07 H 0.07 I 0.01 C Shift Assignments>> C :: 177.546 CA :: 58.334 CB :: 32.685 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.766 HA :: 4.667 HB2 :: 2.826 HB3 :: 3.793 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 :: 124.701 Ave N Shift Values>> N :: 119.95(4.79) 1.K9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.38 C 0.38 R 0.21 M 0.01 C Shift Assignments>> C :: 176.432 CA :: 58.933 CB :: 33.306 CG :: 25.552 CD :: 29.664 CE :: 41.920 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 :: 9.050 HA :: 4.186 HB2 :: 1.819 HB3 :: 1.942 HG2 :: 1.534 HG3 :: 1.661 HD2 :: 1.697 HD3 :: 1.697 HE2 :: 2.980 HE3 :: 2.980 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 :: 129.397 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.48 C 0.33 R 0.1 G 0.04 A 0.02 C Shift Assignments>> C :: 177.474 CA :: 57.314 CB :: 42.817 CG :: 26.950 CD1 :: 25.141 CD2 :: 21.851 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 :: 9.109 HA :: 4.547 HB2 :: 2.237 HB3 :: 1.626 HG :: 1.673 HD11 :: 0.404 HD12 :: 0.404 HD13 :: 0.404 HD21 :: 0.693 HD22 :: 0.693 HD23 :: 0.693 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 :: 120.546 Ave N Shift Values>> N :: 121.98(4.07) 1.C11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.21 K 0.18 M 0.14 Q 0.11 V 0.09 R 0.09 E 0.07 H 0.06 I 0.01 C Shift Assignments>> C :: 176.722 CA :: 58.418 CB :: 32.777 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.147 HA :: 4.866 HB2 :: 3.332 HB3 :: 2.856 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 :: 116.827 Ave N Shift Values>> N :: 119.95(4.79) 1.L12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.73 L 0.24 A 0.01 C Shift Assignments>> C :: 176.747 CA :: 57.060 CB :: 38.195 CG :: 27.493 CD1 :: 25.141 CD2 :: 22.920 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 :: 8.215 HA :: 4.272 HB2 :: 1.712 HB3 :: 2.219 HG :: 1.480 HD11 :: 0.923 HD12 :: 0.923 HD13 :: 0.923 HD21 :: 0.871 HD22 :: 0.871 HD23 :: 0.871 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 :: 119.617 Ave N Shift Values>> N :: 121.98(4.07) 1.G13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.28 R 0.25 L 0.25 C 0.1 F 0.02 D 0.02 Y 0.01 K 0.01 C Shift Assignments>> C :: 171.815 CA :: 44.115 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.824 HA2 :: 4.207 HA3 :: 3.580 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.849 Ave N Shift Values>> N :: 109.91(4.29) 1.E14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 E 0.29 M 0.25 Q 0.03 K 0.02 C Shift Assignments>> C :: 175.256 CA :: 54.983 CB :: 31.721 CG :: 36.162 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 :: 7.664 HA :: 4.795 HB2 :: 1.657 HB3 :: 1.657 HG2 :: 1.881 HG3 :: 2.008 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.484 Ave N Shift Values>> N :: 120.68(3.68) 1.Y15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.57 C 0.42 C Shift Assignments>> C :: 172.421 CA :: 55.889 CB :: 40.393 CD1 :: 133.697 CD2 :: 133.697 CE1 :: 118.341 CE2 :: 118.341 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 :: 8.415 HA :: 4.967 HB2 :: 2.829 HB3 :: 3.072 HD1 :: 7.093 HD2 :: 7.093 HE1 :: 6.786 HE2 :: 6.786 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 :: 121.964 Ave N Shift Values>> N :: 120.79(4.69) 1.P16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.7 C 0.29 C Shift Assignments>> CA :: 62.446 CB :: 32.777 CG :: 28.168 CD :: 50.718 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 :: 4.724 HB2 :: 2.031 HB3 :: 2.529 HG2 :: 2.100 HG3 :: 2.100 HD2 :: 3.762 HD3 :: 3.943 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 0.95 C 0.04 C Shift Assignments>> C :: 177.922 CA :: 66.066 CB :: 31.721 CG1 :: 20.634 CG2 :: 21.022 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 :: 8.315 HA :: 3.652 HB :: 2.105 HG11 :: 0.964 HG12 :: 0.964 HG13 :: 0.964 HG21 :: 0.945 HG22 :: 0.945 HG23 :: 0.945 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 :: 120.148 Ave N Shift Values>> N :: 121.02(4.96) 1.E18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 I 0.29 E 0.26 K 0.06 Q 0.01 C Shift Assignments>> C :: 177.862 CA :: 59.197 CB :: 28.284 CG :: 36.738 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 :: 9.255 HA :: 4.291 HB2 :: 2.124 HB3 :: 2.124 HG2 :: 2.399 HG3 :: 2.399 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.668 Ave N Shift Values>> N :: 120.68(3.68) 1.Q19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 Q 0.23 K 0.2 E 0.2 M 0.07 R 0.01 I 0.01 C Shift Assignments>> C :: 174.178 CA :: 55.552 CB :: 29.343 CG :: 34.764 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 :: 8.197 HA :: 4.498 HB2 :: 2.472 HB3 :: 2.019 HG2 :: 2.478 HG3 :: 2.359 HE21 :: 7.661 HE22 :: 6.859 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 :: 118.045 NE2 :: 111.084 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.M20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.4 A 0.3 C 0.28 HN Overlap>> 1.I69 1.I69 C Shift Assignments>> C :: 175.268 CA :: 54.111 CB :: 34.042 CG :: 32.461 CE :: 17.454 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 :: 7.658 HA :: 5.066 HB2 :: 2.032 HB3 :: 1.881 HG2 :: 2.293 HG3 :: 2.492 HE1 :: 1.733 HE2 :: 1.733 HE3 :: 1.733 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 :: 118.687 Ave N Shift Values>> N :: 120.1(3.88) 1.T21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.88 C 0.11 C Shift Assignments>> C :: 171.912 CA :: 62.895 CB :: 72.671 CG2 :: 21.357 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 :: 9.351 HA :: 4.469 HB :: 3.679 HG21 :: 1.081 HG22 :: 1.081 HG23 :: 1.081 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 :: 117.624 Ave N Shift Values>> N :: 115.7(5.05) 1.T22 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 :: 174.735 CA :: 61.016 CB :: 70.026 CG2 :: 20.864 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 :: 8.355 HA :: 4.918 HB :: 3.819 HG21 :: 0.913 HG22 :: 0.913 HG23 :: 0.913 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 :: 122.253 Ave N Shift Values>> N :: 115.7(5.05) 1.I23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.65 C 0.34 C Shift Assignments>> C :: 177.207 CA :: 61.898 CB :: 37.291 CG1 :: 27.855 CG2 :: 19.794 CD1 :: 14.119 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 :: 8.905 HA :: 3.984 HB :: 2.464 HG12 :: 1.026 HG13 :: 1.802 HG21 :: 1.126 HG22 :: 1.126 HG23 :: 1.126 HD11 :: 1.020 HD12 :: 1.020 HD13 :: 1.020 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 :: 130.231 Ave N Shift Values>> N :: 121.6(4.72) 1.A24 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.64 A 0.2 I 0.09 C 0.03 V 0.01 C Shift Assignments>> C :: 181.873 CA :: 56.252 CB :: 18.209 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 10.245(S) HA :: 3.890 HB1 :: 1.435 HB2 :: 1.435 HB3 :: 1.435 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 133.297 Ave N Shift Values>> N :: 123.23(3.7) 1.Q25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 E 0.18 Q 0.17 K 0.17 I 0.08 M 0.03 R 0.02 C Shift Assignments>> C :: 177.026 CA :: 60.094 CB :: 29.331 CG :: 34.435 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 :: 9.761 HA :: 4.019 HB2 :: 2.086 HB3 :: 2.167 HG2 :: 2.375 HG3 :: 2.768 HE21 :: 6.910 HE22 :: 7.591 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 :: 115.805 NE2 :: 111.095 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.C26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.22 Q 0.19 M 0.18 K 0.16 E 0.11 H 0.02 V 0.02 R 0.02 Y 0.01 C Shift Assignments>> C :: 175.789 CA :: 56.773 CB :: 34.329 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.292 HA :: 4.617 HB2 :: 3.069 HB3 :: 2.306 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 :: 111.126 Ave N Shift Values>> N :: 119.95(4.79) 1.Q27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 K 0.29 Q 0.11 R 0.04 I 0.04 E 0.03 M 0.02 V 0.01 C Shift Assignments>> C :: 175.486 CA :: 57.888 CB :: 25.679 CG :: 34.599 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 :: 8.403 HA :: 3.902 HB2 :: 2.308 HB3 :: 2.467 HG2 :: 2.194 HG3 :: 2.194 HE21 :: 7.682 HE22 :: 6.944 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 :: 117.093 NE2 :: 115.594 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.C28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.42 P 0.39 C 0.1 I 0.03 C Shift Assignments>> C :: 173.644 CA :: 63.164 CB :: 32.561 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.332 HA :: 3.934 HB2 :: 2.794 HB3 :: 2.794 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 :: 123.601 Ave N Shift Values>> N :: 119.95(4.79) 1.I29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.58 C 0.4 C Shift Assignments>> C :: 173.462 CA :: 59.522 CB :: 41.198 CG1 :: 27.855 CG2 :: 16.664 CD1 :: 14.284 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 :: 7.354 HA :: 4.937 HB :: 1.418 HG12 :: 0.876 HG13 :: 1.470 HG21 :: 0.719 HG22 :: 0.719 HG23 :: 0.719 HD11 :: 0.758 HD12 :: 0.758 HD13 :: 0.758 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 :: 118.820 Ave N Shift Values>> N :: 121.6(4.72) 1.F30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.64 C 0.19 F 0.15 C Shift Assignments>> C :: 174.565 CA :: 55.773 CB :: 44.981 CD1 :: 132.161 CD2 :: 132.161 CE1 :: 131.671 CE2 :: 131.671 CZ :: 129.837 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 :: 8.356 HA :: 5.083 HB2 :: 3.450 HB3 :: 2.344 HD1 :: 7.121 HD2 :: 7.121 HE1 :: 7.238 HE2 :: 7.238 HZ :: 7.252 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 :: 121.078 Ave N Shift Values>> N :: 120.69(4.18) 1.C31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.18 E 0.16 R 0.14 H 0.1 I 0.1 Q 0.08 V 0.08 K 0.06 M 0.04 P 0.01 C Shift Assignments>> C :: 175.789 CA :: 59.574 CB :: 30.381 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 10.363 HA :: 5.230 HB2 :: 2.844 HB3 :: 2.593 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 :: 124.174 Ave N Shift Values>> N :: 119.95(4.79) 1.T32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 C 0.01 C Shift Assignments>> C :: 175.692 CA :: 66.630 CB :: 68.444 CG2 :: 22.210 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 :: 8.708 HA :: 3.641 HB :: 3.848 HG21 :: 1.159 HG22 :: 1.159 HG23 :: 1.159 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 :: 120.673 Ave N Shift Values>> N :: 115.7(5.05) 1.L33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 C 0.4 R 0.02 C Shift Assignments>> C :: 180.152 CA :: 58.915 CB :: 41.298 CG :: 26.965 CD1 :: 23.795 CD2 :: 24.325 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 :: 8.076 HA :: 4.060 HB2 :: 1.661 HB3 :: 1.776 HG :: 1.666 HD11 :: 0.887 HD12 :: 0.887 HD13 :: 0.887 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 :: 120.679 Ave N Shift Values>> N :: 121.98(4.07) 1.C34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> I 0.4 V 0.28 P 0.22 C 0.07 C Shift Assignments>> C :: 179.546 CA :: 65.687 CB :: 29.645 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> HA :: 3.852 HB2 :: 3.164 HB3 :: 2.829 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) 1.L35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 C 0.32 R 0.13 G 0.01 HN Overlap>> 1.Y81 1.Y81 C Shift Assignments>> C :: 177.413 CA :: 57.805 CB :: 42.225 CG :: 26.967 CD1 :: 26.128 CD2 :: 24.071 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 :: 8.205 HA :: 3.878 HB2 :: 1.881 HB3 :: 1.406 HG :: 1.556 HD11 :: 0.784 HD12 :: 0.784 HD13 :: 0.784 HD21 :: 0.652 HD22 :: 0.652 HD23 :: 0.652 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 :: 121.034 Ave N Shift Values>> N :: 121.98(4.07) 1.K36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 K 0.33 R 0.18 M 0.02 G 0.01 C Shift Assignments>> C :: 177.946 CA :: 60.518 CB :: 33.384 CG :: 24.894 CD :: 30.400 CE :: 42.166 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 :: 9.018 HA :: 3.801 HB2 :: 1.897 HB3 :: 1.942 HG2 :: 1.305 HG3 :: 1.445 HD2 :: 1.635 HD3 :: 1.739 HE2 :: 3.109 HE3 :: 3.056 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 :: 120.210 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Q37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 Q 0.21 K 0.2 E 0.17 I 0.05 R 0.03 M 0.02 C Shift Assignments>> C :: 178.007 CA :: 59.103 CB :: 28.860 CG :: 34.363 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 :: 7.738 HA :: 4.089 HB2 :: 2.132 HB3 :: 2.189 HG2 :: 2.410 HG3 :: 2.569 HE21 :: 7.339 HE22 :: 6.905 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 :: 116.827 NE2 :: 111.084 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.Y38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.6 C 0.39 C Shift Assignments>> C :: 176.553 CA :: 60.540 CB :: 38.031 CD1 :: 133.352 CD2 :: 133.352 CE1 :: 118.142 CE2 :: 118.142 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 :: 7.756 HA :: 4.257 HB2 :: 3.171 HB3 :: 3.112 HD1 :: 7.013 HD2 :: 7.013 HE1 :: 6.692 HE2 :: 6.692 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 :: 120.414 Ave N Shift Values>> N :: 120.79(4.69) 1.V39 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 :: 177.692 CA :: 66.720 CB :: 31.985 CG1 :: 24.291 CG2 :: 23.533 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 :: 8.487 HA :: 3.184 HB :: 2.008 HG11 :: 1.072 HG12 :: 1.072 HG13 :: 1.072 HG21 :: 0.814 HG22 :: 0.814 HG23 :: 0.814 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 :: 118.156 Ave N Shift Values>> N :: 121.02(4.96) 1.E40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.6 C 0.31 E 0.07 C Shift Assignments>> C :: 178.940 CA :: 61.034 CB :: 29.395 CG :: 38.712 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 :: 8.591 HA :: 3.687 HB2 :: 1.923 HB3 :: 2.166 HG2 :: 2.071 HG3 :: 2.811 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 :: 117.226 Ave N Shift Values>> N :: 120.68(3.68) 1.L41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 C 0.39 R 0.03 C Shift Assignments>> C :: 179.328 CA :: 58.353 CB :: 41.403 CG :: 27.229 CD1 :: 23.797 CD2 :: 24.590 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 :: 7.864 HA :: 4.044 HB2 :: 1.761 HB3 :: 1.761 HG :: 1.577 HD11 :: 0.893 HD12 :: 0.893 HD13 :: 0.893 HD21 :: 0.931 HD22 :: 0.931 HD23 :: 0.931 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 :: 119.085 Ave N Shift Values>> N :: 121.98(4.07) 1.L42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.44 C 0.37 R 0.15 K 0.01 C Shift Assignments>> C :: 180.746 CA :: 57.980 CB :: 41.650 CG :: 27.758 CD1 :: 26.045 CD2 :: 23.533 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 :: 7.373 HA :: 3.980 HB2 :: 1.290 HB3 :: 1.634 HG :: 1.462 HD11 :: 0.530 HD12 :: 0.530 HD13 :: 0.530 HD21 :: 0.753 HD22 :: 0.753 HD23 :: 0.753 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 :: 119.351 Ave N Shift Values>> N :: 121.98(4.07) 1.I43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.91 C 0.07 C Shift Assignments>> C :: 178.722 CA :: 65.244 CB :: 38.061 CG1 :: 29.481 CG2 :: 17.985 CD1 :: 14.613 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 :: 8.141 HA :: 3.772 HB :: 1.722 HG12 :: 1.840 HG13 :: 0.968 HG21 :: 0.966 HG22 :: 0.966 HG23 :: 0.966 HD11 :: 0.579 HD12 :: 0.579 HD13 :: 0.579 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 :: 119.882 Ave N Shift Values>> N :: 121.6(4.72) 1.K44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.38 C 0.38 R 0.2 M 0.01 G 0.01 C Shift Assignments>> C :: 178.661 CA :: 60.278 CB :: 32.513 CG :: 25.644 CD :: 29.607 CE :: 42.002 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 :: 8.443 HA :: 3.894 HB2 :: 1.964 HB3 :: 1.964 HG2 :: 1.371 HG3 :: 1.623 HD2 :: 1.688 HD3 :: 1.688 HE2 :: 2.930 HE3 :: 3.001 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 :: 121.343 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.36 I 0.14 K 0.05 M 0.04 Q 0.01 C Shift Assignments>> C :: 178.177 CA :: 58.125 CB :: 29.847 CG :: 36.820 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 :: 8.091 HA :: 4.181 HB2 :: 2.170 HB3 :: 2.117 HG2 :: 2.259 HG3 :: 2.431 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 :: 117.529 Ave N Shift Values>> N :: 120.68(3.68) 1.G46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 C 0.13 L 0.04 C Shift Assignments>> C :: 173.863 CA :: 46.574 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.712 HA2 :: 3.967 HA3 :: 3.863 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.069 Ave N Shift Values>> N :: 109.91(4.29) 1.L47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 C 0.29 R 0.1 G 0.04 C Shift Assignments>> C :: 177.147 CA :: 55.854 CB :: 42.817 CG :: 27.229 CD1 :: 24.323 CD2 :: 24.851 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 :: 8.108 HA :: 4.338 HB2 :: 1.679 HB3 :: 1.627 HG :: 1.575 HD11 :: 0.877 HD12 :: 0.877 HD13 :: 0.877 HD21 :: 0.934 HD22 :: 0.934 HD23 :: 0.934 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 :: 120.281 Ave N Shift Values>> N :: 121.98(4.07) 1.E48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 E 0.34 M 0.19 Q 0.04 K 0.03 I 0.01 HN Overlap>> 1.A57 1.A57 C Shift Assignments>> C :: 175.801 CA :: 55.885 CB :: 31.246 CG :: 36.162 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 :: 8.464 HA :: 4.471 HB2 :: 2.175 HB3 :: 1.833 HG2 :: 2.273 HG3 :: 2.339 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 :: 120.281 Ave N Shift Values>> N :: 120.68(3.68) 1.T49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 C Shift Assignments>> C :: 173.935 CA :: 61.241 CB :: 69.765 CG2 :: 21.851 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 :: 7.870 HA :: 4.353 HB :: 4.283 HG21 :: 1.057 HG22 :: 1.057 HG23 :: 1.057 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 110.186 Ave N Shift Values>> N :: 115.7(5.05) 1.A50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.81 M 0.14 C 0.02 C Shift Assignments>> C :: 176.662 CA :: 51.764 CB :: 19.319 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.215 HA :: 4.516 HB1 :: 1.259 HB2 :: 1.259 HB3 :: 1.259 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.062 Ave N Shift Values>> N :: 123.23(3.7) 1.I51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.61 C 0.38 C Shift Assignments>> C :: 175.692 CA :: 60.739 CB :: 37.002 CG1 :: 27.493 CG2 :: 18.596 CD1 :: 12.367 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 :: 9.090 HA :: 4.121 HB :: 1.933 HG12 :: 1.511 HG13 :: 1.231 HG21 :: 0.938 HG22 :: 0.938 HG23 :: 0.938 HD11 :: 0.680 HD12 :: 0.680 HD13 :: 0.680 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 :: 123.685 Ave N Shift Values>> N :: 121.6(4.72) 1.S52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.996 CA :: 58.895 CB :: 64.504 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.768 HA :: 4.289 HB2 :: 3.737 HB3 :: 3.791 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 :: 123.893 Ave N Shift Values>> N :: 116.3(3.95) 1.C53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.17 R 0.16 C 0.16 H 0.13 Q 0.11 M 0.08 K 0.08 V 0.03 I 0.03 C Shift Assignments>> C :: 175.062 CA :: 58.106 CB :: 30.664 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.927 HA :: 3.967 HB2 :: 2.763 HB3 :: 2.644 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 :: 126.922 Ave N Shift Values>> N :: 119.95(4.79) 1.P54 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.79 C 0.19 C Shift Assignments>> CA :: 63.952 CB :: 30.716 CG :: 25.382 CD :: 50.478 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 :: 3.790 HB2 :: 1.010 HB3 :: 0.306(S) HG2 :: 0.157(S) HG3 :: 0.157(S) HD2 :: 2.812 HD3 :: 3.863 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.D55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.19 N 0.12 K 0.1 C 0.1 F 0.06 Y 0.05 R 0.03 C Shift Assignments>> C :: 177.074 CA :: 53.442 CB :: 41.342 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 :: 8.332 HA :: 4.614 HB2 :: 2.544 HB3 :: 3.354 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 :: 117.884 Ave N Shift Values>> N :: 120.73(4.2) 1.A56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.49 A 0.43 C 0.02 I 0.02 C Shift Assignments>> C :: 178.237 CA :: 54.746 CB :: 18.250 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.034 HA :: 4.144 HB1 :: 1.490 HB2 :: 1.490 HB3 :: 1.490 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 133.532 Ave N Shift Values>> N :: 123.23(3.7) 1.A57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.87 M 0.1 C 0.01 HN Overlap>> 1.E48 1.E48 C Shift Assignments>> C :: 175.899 CA :: 50.334 CB :: 18.250 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.507 HA :: 4.489 HB1 :: 1.344 HB2 :: 1.344 HB3 :: 1.344 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.209 Ave N Shift Values>> N :: 123.23(3.7) 1.C58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.15 K 0.15 C 0.14 Q 0.14 H 0.12 R 0.11 I 0.09 M 0.02 L 0.01 V 0.01 C Shift Assignments>> C :: 177.922 CA :: 58.458 CB :: 29.043 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.586 HA :: 4.054 HB2 :: 3.861 HB3 :: 2.655 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 :: 124.939 Ave N Shift Values>> N :: 119.95(4.79) 1.P59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.62 C 0.36 C Shift Assignments>> C :: 177.753 CA :: 64.802 CB :: 32.727 CG :: 27.322 CD :: 51.901 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 :: 4.395 HB2 :: 2.050 HB3 :: 2.422 HG2 :: 2.046 HG3 :: 2.117 HD2 :: 3.822 HD3 :: 4.074 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.K60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.32 R 0.23 G 0.01 M 0.01 C Shift Assignments>> C :: 174.856 CA :: 54.413 CB :: 33.795 CG :: 25.634 CD :: 29.006 CE :: 42.331 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 :: 8.083 HA :: 4.595 HB2 :: 1.342 HB3 :: 2.080 HG2 :: 1.404 HG3 :: 1.527 HD2 :: 1.755 HD3 :: 1.755 HE2 :: 3.029 HE3 :: 3.029 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 :: 117.949 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Q61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 K 0.2 Q 0.19 E 0.07 R 0.06 I 0.03 M 0.01 C Shift Assignments>> C :: 176.007 CA :: 57.308 CB :: 26.506 CG :: 34.517 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 :: 7.926 HA :: 3.906 HB2 :: 2.107 HB3 :: 2.204 HG2 :: 2.294 HG3 :: 2.368 HE21 :: 7.648 HE22 :: 6.637 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 :: 119.749 NE2 :: 112.858 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.G62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.73 L 0.1 C 0.08 R 0.05 C Shift Assignments>> C :: 174.553 CA :: 45.154 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.244 HA2 :: 4.222 HA3 :: 3.919 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.061 Ave N Shift Values>> N :: 109.91(4.29) 1.H63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.52 C 0.47 C Shift Assignments>> C :: 173.972 CA :: 55.225 CB :: 31.962 CD2 :: 119.937 CE1 :: 137.546 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.098 HA :: 5.079 HB2 :: 3.188 HB3 :: 2.930 HD2 :: 6.758 HE1 :: 8.290 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 116.966 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.L64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.35 K 0.11 G 0.04 L 0.03 C Shift Assignments>> C :: 177.122 CA :: 56.102 CB :: 43.048 CG :: 30.322 CD1 :: 26.439 CD2 :: 25.578 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 :: 8.642 HA :: 4.469 HB2 :: 1.544 HB3 :: 1.655 HG :: 1.696 HD11 :: 0.810 HD12 :: 0.810 HD13 :: 0.810 HD21 :: 0.830 HD22 :: 0.830 HD23 :: 0.830 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 :: 122.499 Ave N Shift Values>> N :: 121.98(4.07) 1.Q65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 M 0.27 Q 0.18 E 0.16 K 0.08 C Shift Assignments>> C :: 177.947 CA :: 54.306 CB :: 30.999 CG :: 34.627 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 :: 9.788 HA :: 4.640 HB2 :: 2.496 HB3 :: 2.119 HG2 :: 2.552 HG3 :: 2.774 HE21 :: 7.581 HE22 :: 7.025 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 :: 121.875 NE2 :: 112.413 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.E66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.49 C 0.3 E 0.17 K 0.01 C Shift Assignments>> C :: 177.656 CA :: 61.331 CB :: 29.642 CG :: 37.231 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 :: 9.221 HA :: 3.816 HB2 :: 2.135 HB3 :: 2.284 HG2 :: 2.313 HG3 :: 2.313 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 123.305 Ave N Shift Values>> N :: 120.68(3.68) 1.N67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 E 0.21 Y 0.16 F 0.09 N 0.08 M 0.05 I 0.03 K 0.02 D 0.02 C Shift Assignments>> C :: 177.219 CA :: 56.178 CB :: 37.102 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 :: 8.736 HA :: 4.534 HB2 :: 2.829 HB3 :: 2.890 HD21 :: 7.702 HD22 :: 6.943 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 113.743 ND2 :: 113.442 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.E68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 E 0.27 I 0.22 M 0.03 C Shift Assignments>> C :: 178.262 CA :: 58.616 CB :: 30.651 CG :: 38.136 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 :: 7.267 HA :: 4.152 HB2 :: 1.954 HB3 :: 2.580 HG2 :: 2.371 HG3 :: 2.233 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.882 Ave N Shift Values>> N :: 120.68(3.68) 1.I69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.93 C 0.06 HN Overlap>> 1.M20 1.M20 C Shift Assignments>> C :: 178.019 CA :: 65.410 CB :: 38.712 CG1 :: 29.335 CG2 :: 17.631 CD1 :: 13.790 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 :: 7.554 HA :: 3.488 HB :: 1.738 HG12 :: 0.714 HG13 :: 1.605 HG21 :: 0.535 HG22 :: 0.535 HG23 :: 0.535 HD11 :: 0.528 HD12 :: 0.528 HD13 :: 0.528 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 :: 118.687 Ave N Shift Values>> N :: 121.6(4.72) 1.E70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.34 C 0.33 I 0.2 K 0.05 M 0.03 Q 0.02 C Shift Assignments>> C :: 177.959 CA :: 59.683 CB :: 29.929 CG :: 36.327 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 :: 8.288 HA :: 4.142 HB2 :: 2.094 HB3 :: 2.165 HG2 :: 2.273 HG3 :: 2.333 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 :: 118.484 Ave N Shift Values>> N :: 120.68(3.68) 1.C71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.33 C 0.16 R 0.14 K 0.07 Q 0.06 P 0.06 E 0.05 H 0.05 L 0.03 C Shift Assignments>> C :: 175.075 CA :: 60.252 CB :: 27.425 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.255 HA :: 4.474 HB2 :: 3.056 HB3 :: 3.115 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 :: 111.780 Ave N Shift Values>> N :: 119.95(4.79) 1.M72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 M 0.27 I 0.09 A 0.07 C Shift Assignments>> C :: 176.020 CA :: 57.016 CB :: 37.003 CG :: 31.803 CE :: 17.290 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 :: 7.674 HA :: 4.560 HB2 :: 1.954 HB3 :: 2.195 HG2 :: 2.507 HG3 :: 2.600 HE1 :: 1.972 HE2 :: 1.972 HE3 :: 1.972 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 :: 117.632 Ave N Shift Values>> N :: 120.1(3.88) 1.V73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.7 V 0.22 I 0.06 C Shift Assignments>> C :: 175.704 CA :: 59.657 CB :: 35.155 CG1 :: 22.569 CG2 :: 18.725 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 :: 7.318 HA :: 4.721 HB :: 2.239 HG11 :: 0.931 HG12 :: 0.931 HG13 :: 0.931 HG21 :: 0.776 HG22 :: 0.776 HG23 :: 0.776 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 :: 109.507 Ave N Shift Values>> N :: 121.02(4.96) 1.A74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.8 M 0.15 C 0.02 C Shift Assignments>> C :: 179.061 CA :: 51.938 CB :: 19.568 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 :: 4.317 HB1 :: 1.545 HB2 :: 1.545 HB3 :: 1.545 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.259 Ave N Shift Values>> N :: 123.23(3.7) 1.A75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.62 A 0.23 I 0.07 C 0.03 V 0.01 C Shift Assignments>> C :: 180.394 CA :: 56.007 CB :: 18.250 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.999 HA :: 4.057 HB1 :: 1.507 HB2 :: 1.507 HB3 :: 1.507 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.997 Ave N Shift Values>> N :: 123.23(3.7) 1.E76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.27 I 0.25 K 0.08 Q 0.03 C Shift Assignments>> C :: 179.098 CA :: 59.623 CB :: 28.550 CG :: 36.162 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 :: 9.453 HA :: 4.115 HB2 :: 2.025 HB3 :: 2.061 HG2 :: 2.330 HG3 :: 2.330 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 :: 116.027 Ave N Shift Values>> N :: 120.68(3.68) 1.I77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.6 C 0.39 C Shift Assignments>> C :: 177.862 CA :: 62.316 CB :: 36.139 CG1 :: 27.773 CG2 :: 18.513 CD1 :: 10.585 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 :: 7.228 HA :: 3.897 HB :: 2.251 HG12 :: 1.590 HG13 :: 1.406 HG21 :: 0.935 HG22 :: 0.935 HG23 :: 0.935 HD11 :: 0.843 HD12 :: 0.843 HD13 :: 0.843 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 :: 121.078 Ave N Shift Values>> N :: 121.6(4.72) 1.M78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 M 0.44 A 0.08 C Shift Assignments>> C :: 178.516 CA :: 57.033 CB :: 31.163 CG :: 32.625 CE :: 18.612 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 :: 8.032 HA :: 4.470 HB2 :: 1.911 HB3 :: 2.393 HG2 :: 2.502 HG3 :: 2.871 HE1 :: 2.097 HE2 :: 2.097 HE3 :: 2.097 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 :: 122.236 Ave N Shift Values>> N :: 120.1(3.88) 1.Q79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 Q 0.22 K 0.22 E 0.09 R 0.08 I 0.03 M 0.01 C Shift Assignments>> C :: 178.795 CA :: 59.023 CB :: 28.037 CG :: 33.859 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 :: 8.228 HA :: 4.020 HB2 :: 2.131 HB3 :: 2.169 HG2 :: 2.530 HG3 :: 2.451 HE21 :: 6.888 HE22 :: 7.482 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 :: 116.695 NE2 :: 111.826 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.R80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.43 C 0.37 G 0.13 K 0.03 L 0.01 C Shift Assignments>> C :: 177.753 CA :: 59.237 CB :: 29.395 CG :: 27.758 CD :: 43.647 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 :: 7.350 HA :: 4.118 HB2 :: 1.957 HB3 :: 2.018 HG2 :: 1.544 HG3 :: 1.857 HD2 :: 3.105 HD3 :: 3.259 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 :: 120.148 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.Y81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.66 C 0.32 HN Overlap>> 1.L35 1.L35 C Shift Assignments>> C :: 177.304 CA :: 61.390 CB :: 38.237 CD1 :: 132.790 CD2 :: 132.790 CE1 :: 117.925 CE2 :: 117.925 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 :: 8.256 HA :: 4.159 HB2 :: 3.503 HB3 :: 3.095 HD1 :: 7.015 HD2 :: 7.015 HE1 :: 6.723 HE2 :: 6.723 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 :: 120.945 Ave N Shift Values>> N :: 120.79(4.69) 1.K82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.38 C 0.35 R 0.24 M 0.01 C Shift Assignments>> C :: 179.146 CA :: 58.743 CB :: 31.492 CG :: 25.387 CD :: 28.431 CE :: 41.760 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 :: 8.501 HA :: 3.894 HB2 :: 1.925 HB3 :: 1.847 HG2 :: 1.639 HG3 :: 1.767 HD2 :: 1.710 HD3 :: 1.710 HE2 :: 2.929 HE3 :: 3.000 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 :: 117.491 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.37 R 0.19 M 0.02 G 0.01 C Shift Assignments>> C :: 178.540 CA :: 59.191 CB :: 32.438 CG :: 25.116 CD :: 29.418 CE :: 42.249 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 :: 7.849 HA :: 4.139 HB2 :: 1.946 HB3 :: 2.005 HG2 :: 1.447 HG3 :: 1.572 HD2 :: 1.703 HD3 :: 1.703 HE2 :: 3.004 HE3 :: 3.004 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 :: 120.812 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.33 R 0.07 C Shift Assignments>> C :: 179.146 CA :: 57.361 CB :: 41.815 CG :: 26.737 CD1 :: 25.644 CD2 :: 23.269 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 :: 8.041 HA :: 4.093 HB2 :: 1.413 HB3 :: 1.806 HG :: 1.758 HD11 :: 0.908 HD12 :: 0.908 HD13 :: 0.908 HD21 :: 0.846 HD22 :: 0.846 HD23 :: 0.846 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 :: 120.015 Ave N Shift Values>> N :: 121.98(4.07) 1.Q85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 Q 0.25 K 0.24 E 0.11 R 0.06 M 0.04 I 0.01 C Shift Assignments>> C :: 178.140 CA :: 57.970 CB :: 29.079 CG :: 33.695 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 :: 7.850 HA :: 3.894 HB2 :: 1.866 HB3 :: 1.925 HG2 :: 1.952 HG3 :: 2.055 HE21 :: 6.847 HE22 :: 6.706 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 :: 116.562 NE2 :: 111.981 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.F86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.61 C 0.38 C Shift Assignments>> C :: 177.753 CA :: 59.785 CB :: 39.264 CD1 :: 131.806 CD2 :: 131.806 CE1 :: 131.626 CE2 :: 131.626 CZ :: 129.890 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 :: 7.969 HA :: 4.412 HB2 :: 3.242 HB3 :: 3.242 HD1 :: 7.271 HD2 :: 7.271 HE1 :: 7.343 HE2 :: 7.343 HZ :: 7.301 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 :: 119.617 Ave N Shift Values>> N :: 120.69(4.18) 1.E87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.35 I 0.12 K 0.06 M 0.04 Q 0.02 C Shift Assignments>> C :: 177.510 CA :: 57.933 CB :: 29.871 CG :: 36.656 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 :: 8.288 HA :: 4.072 HB2 :: 2.094 HB3 :: 2.094 HG2 :: 2.309 HG3 :: 2.501 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.882 Ave N Shift Values>> N :: 120.68(3.68) 1.R88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.36 K 0.09 G 0.07 L 0.01 C Shift Assignments>> C :: 176.735 CA :: 56.557 CB :: 30.423 CG :: 27.197 CD :: 43.400 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 :: 7.869 HA :: 4.350 HB2 :: 1.815 HB3 :: 1.947 HG2 :: 1.695 HG3 :: 1.695 HD2 :: 3.178 HD3 :: 3.178 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 118.820 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.S89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.626 CA :: 58.790 CB :: 64.217 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.001 HA :: 4.481 HB2 :: 3.907 HB3 :: 3.907 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 :: 115.499 Ave N Shift Values>> N :: 116.3(3.95) 1.G90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.56 L 0.17 R 0.11 C 0.09 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 171.766 CA :: 44.732 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.085 HA2 :: 4.079 HA3 :: 4.040 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.585 Ave N Shift Values>> N :: 109.91(4.29) 1.P91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.81 C 0.18 C Shift Assignments>> CA :: 63.269 CB :: 32.228 CG :: 27.229 CD :: 49.831 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 :: 4.484 HB2 :: 1.990 HB3 :: 2.300 HG2 :: 2.025 HG3 :: 2.025 HD2 :: 3.619 HD3 :: 3.619 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.S92 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S93 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G94 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.ZN1 Overall Status: Residue type ZN not supported. ########################################################################### Overall Results: #Consistent: 92 #Clerical: 0 #Suspicious: 2 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 89 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 5 Shift Relative Order (SRO) Results: #Consistent: 94 #Suspicious: 0 C Shift Results: #Consistent: 391 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 626 #Duplicate: 0 #Unknown: 0 #Suspicious: 4 #Anomalous: 0 N Shift Results: #Consistent: 91 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.A24 H = 10.245(S), Expected = 8.20, Std = 0.6000, ChiSquare = 6.5361e-04 1.P54 HB3 = 0.306(S), Expected = 2.05, Std = 0.3900, ChiSquare = 7.7566e-06 1.P54 HG2 = 0.157(S), Expected = 1.93, Std = 0.3600, ChiSquare = 8.4360e-07 1.P54 HG3 = 0.157(S), Expected = 1.92, Std = 0.3700, ChiSquare = 1.8898e-06