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: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.79 L 0.08 C 0.08 R 0.02 C Shift Assignments>> C :: 174.017 CA :: 45.421 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> HA2 :: 3.959 HA3 :: 3.959 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) 1.M8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.46 C 0.36 A 0.17 HN Overlap>> 1.Q88 1.Q88 C Shift Assignments>> C :: 175.715 CA :: 55.097 CB :: 33.003 CG :: 32.017 CE :: 16.950 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 :: 8.120 HA :: 4.473 HB2 :: 2.058 HB3 :: 1.955 HG2 :: 2.515 HG3 :: 2.571 HE1 :: 2.090 HE2 :: 2.090 HE3 :: 2.090 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 :: 119.727 Ave N Shift Values>> N :: 120.1(3.88) 1.A9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.85 M 0.12 C 0.01 C Shift Assignments>> C :: 175.462 CA :: 50.663 CB :: 18.029 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.336 HA :: 4.577 HB1 :: 1.353 HB2 :: 1.353 HB3 :: 1.353 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 127.090 Ave N Shift Values>> N :: 123.23(3.7) 1.P10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.79 C 0.2 C Shift Assignments>> CA :: 62.931 CB :: 32.148 CG :: 27.460 CD :: 50.493 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 :: 4.410 HB2 :: 1.875 HB3 :: 2.298 HG2 :: 2.014 HG3 :: 2.014 HD2 :: 3.634 HD3 :: 3.796 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.K11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.37 R 0.17 M 0.03 C Shift Assignments>> C :: 176.528 CA :: 56.303 CB :: 33.038 CG :: 24.799 CD :: 29.108 CE :: 42.138 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 :: 8.436 HA :: 4.265 HB2 :: 1.814 HB3 :: 1.739 HG2 :: 1.476 HG3 :: 1.444 HD2 :: 1.686 HD3 :: 1.686 HE2 :: 2.969 HE3 :: 2.969 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 :: 121.786 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Q12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.26 C 0.24 K 0.19 M 0.15 E 0.1 R 0.02 HN Overlap>> 1.K15 1.K15 C Shift Assignments>> C :: 175.416 CA :: 55.156 CB :: 30.043 CG :: 33.743 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 :: 8.394 HA :: 4.358 HB2 :: 1.918 HB3 :: 2.075 HG2 :: 2.339 HG3 :: 2.339 HE21 :: 6.883 HE22 :: 7.567 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 :: 121.448 NE2 :: 112.660 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.D13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 N 0.27 C 0.12 L 0.11 F 0.06 Y 0.06 K 0.03 C Shift Assignments>> C :: 174.129 CA :: 52.985 CB :: 40.322 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 :: 8.446 HA :: 4.787 HB2 :: 2.435 HB3 :: 2.585 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 :: 123.418 Ave N Shift Values>> N :: 120.73(4.2) 1.P14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.75 C 0.24 C Shift Assignments>> C :: 175.462 CA :: 62.458 CB :: 32.368 CG :: 27.291 CD :: 50.280 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 :: 4.411 HB2 :: 2.223 HB3 :: 1.763 HG2 :: 1.875 HG3 :: 1.875 HD2 :: 3.531 HD3 :: 3.695 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.K15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.47 C 0.3 R 0.16 M 0.03 G 0.02 HN Overlap>> 1.Q12 1.Q12 C Shift Assignments>> CA :: 52.975 CB :: 32.764 CG :: 24.609 CD :: 28.958 CE :: 42.315 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 :: 8.394 HA :: 4.687 HB2 :: 1.756 HB3 :: 1.689 HG2 :: 1.449 HG3 :: 1.365 HD2 :: 1.660 HD3 :: 1.660 HE2 :: 2.985 HE3 :: 2.985 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 :: 121.450 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.P16 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 :: 177.389 CA :: 63.647 CB :: 32.806 CG :: 27.987 CD :: 51.223 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 :: 4.492 HB2 :: 2.347 HB3 :: 2.705 HG2 :: 1.795 HG3 :: 2.252 HD2 :: 3.711 HD3 :: 3.955 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.K17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 K 0.34 R 0.25 M 0.01 C Shift Assignments>> C :: 175.464 CA :: 57.806 CB :: 33.925 CG :: 25.782 CD :: 29.385 CE :: 42.138 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 :: 8.817 HA :: 3.907 HB2 :: 1.136 HB3 :: 1.388 HG2 :: 1.013 HG3 :: 1.419 HD2 :: 1.578 HD3 :: 1.529 HE2 :: 2.946 HE3 :: 2.946 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 :: 123.173 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.F18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.62 C 0.37 C Shift Assignments>> C :: 173.850 CA :: 55.800 CB :: 40.905 CD1 :: 132.418 CD2 :: 132.418 CE1 :: 130.716 CE2 :: 130.716 CZ :: 129.525 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 :: 7.906 HA :: 4.849 HB2 :: 2.343 HB3 :: 2.616 HD1 :: 6.927 HD2 :: 6.927 HE1 :: 7.013 HE2 :: 7.013 HZ :: 7.044 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 :: 117.013 Ave N Shift Values>> N :: 120.69(4.18) 1.Q19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.46 C 0.39 Q 0.09 E 0.04 C Shift Assignments>> C :: 175.580 CA :: 53.267 CB :: 32.858 CG :: 33.990 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 :: 8.585 HA :: 4.752 HB2 :: 1.960 HB3 :: 2.126 HG2 :: 2.339 HG3 :: 2.427 HE21 :: 7.584 HE22 :: 6.816 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 :: 116.856 NE2 :: 112.665 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.E20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 E 0.3 I 0.29 K 0.03 M 0.01 C Shift Assignments>> C :: 177.705 CA :: 59.071 CB :: 29.138 CG :: 37.271 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 :: 8.839 HA :: 3.707 HB2 :: 2.022 HB3 :: 1.933 HG2 :: 2.158 HG3 :: 2.441 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 :: 120.665 Ave N Shift Values>> N :: 120.68(3.68) 1.G21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.69 L 0.12 C 0.08 R 0.06 F 0.01 C Shift Assignments>> C :: 173.565 CA :: 45.034 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.374 HA2 :: 3.535 HA3 :: 4.344 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 114.917 Ave N Shift Values>> N :: 109.91(4.29) 1.E22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.28 M 0.24 Q 0.06 I 0.01 K 0.01 C Shift Assignments>> C :: 175.647 CA :: 57.595 CB :: 32.099 CG :: 35.538 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 :: 8.057 HA :: 4.053 HB2 :: 2.064 HB3 :: 2.225 HG2 :: 2.385 HG3 :: 2.353 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 :: 123.458 Ave N Shift Values>> N :: 120.68(3.68) 1.R23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.42 C 0.35 K 0.1 G 0.09 L 0.02 C Shift Assignments>> C :: 174.904 CA :: 56.117 CB :: 30.362 CG :: 26.150 CD :: 43.529 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 :: 8.505 HA :: 4.666 HB2 :: 1.649 HB3 :: 1.649 HG2 :: 1.503 HG3 :: 0.966 HD2 :: 2.467 HD3 :: 2.467 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 :: 127.958 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.V24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.75 I 0.17 V 0.05 HN Overlap>> 1.E89 1.E89 C Shift Assignments>> C :: 174.354 CA :: 59.741 CB :: 35.784 CG1 :: 23.025 CG2 :: 17.627 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 :: 8.741 HA :: 4.849 HB :: 2.053 HG11 :: 0.429 HG12 :: 0.429 HG13 :: 0.429 HG21 :: 0.107 HG22 :: 0.107 HG23 :: 0.107 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 :: 120.486 Ave N Shift Values>> N :: 121.02(4.96) 1.L25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.57 L 0.22 C 0.15 A 0.02 R 0.01 C Shift Assignments>> C :: 174.643 CA :: 53.267 CB :: 45.344 CG :: 27.000 CD1 :: 26.740 CD2 :: 23.411 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 :: 8.357 HA :: 5.023 HB2 :: 1.336 HB3 :: 0.893 HG :: 1.432 HD11 :: 0.489 HD12 :: 0.489 HD13 :: 0.489 HD21 :: 0.617 HD22 :: 0.617 HD23 :: 0.617 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.085 Ave N Shift Values>> N :: 121.98(4.07) 1.C26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.14 R 0.14 E 0.13 W 0.13 Q 0.12 C 0.12 K 0.08 M 0.07 I 0.01 C Shift Assignments>> C :: 174.953 CA :: 56.469 CB :: 30.207 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 9.164 HA :: 5.334 HB2 :: 1.923 HB3 :: 2.592 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 :: 121.070 Ave N Shift Values>> N :: 119.95(4.79) 1.F27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.63 C 0.36 C Shift Assignments>> C :: 177.122 CA :: 59.635 CB :: 40.733 CD1 :: 132.379 CD2 :: 132.379 CE1 :: 131.783 CE2 :: 131.783 CZ :: 129.270 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 :: 9.157 HA :: 5.215 HB2 :: 2.807 HB3 :: 3.364 HD1 :: 7.186 HD2 :: 7.186 HE1 :: 7.203 HE2 :: 7.203 HZ :: 7.163 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 :: 129.689 Ave N Shift Values>> N :: 120.69(4.18) 1.H28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.36 H 0.32 C 0.3 C Shift Assignments>> C :: 175.874 CA :: 58.017 CB :: 30.207 CE1 :: 137.292 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 :: 9.070 HA :: 4.630 HB2 :: 3.140 HB3 :: 2.897 HD2 :: 7.001 HE1 :: 7.777 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 :: 123.869 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.G29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.54 L 0.17 R 0.12 C 0.1 F 0.01 D 0.01 Y 0.01 HN Overlap>> 1.N59 1.N59 C Shift Assignments>> CA :: 44.681 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.895 HA2 :: 3.521 HA3 :: 4.308 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 118.993 Ave N Shift Values>> N :: 109.91(4.29) 1.P30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.82 C 0.17 C Shift Assignments>> C :: 175.556 CA :: 63.541 CB :: 32.563 CG :: 26.398 CD :: 49.697 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 :: 4.617 HB2 :: 2.065 HB3 :: 2.219 HG2 :: 1.803 HG3 :: 2.048 HD2 :: 3.636 HD3 :: 3.883 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.L31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.34 G 0.32 C 0.21 R 0.09 C Shift Assignments>> C :: 174.285 CA :: 53.978 CB :: 44.573 CG :: 28.047 CD1 :: 25.849 CD2 :: 24.287 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 :: 7.009 HA :: 4.586 HB2 :: 1.837 HB3 :: 1.141 HG :: 1.534 HD11 :: 0.990 HD12 :: 0.990 HD13 :: 0.990 HD21 :: 0.849 HD22 :: 0.849 HD23 :: 0.849 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 :: 116.908 Ave N Shift Values>> N :: 121.98(4.07) 1.L32 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.39 C 0.24 L 0.21 A 0.14 HN Overlap>> 1.N87 1.E62 1.N87 1.E62 C Shift Assignments>> C :: 176.839 CA :: 53.232 CB :: 46.490 CG :: 26.758 CD1 :: 24.780 CD2 :: 22.512 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 :: 7.590 HA :: 4.314 HB2 :: 0.747 HB3 :: 1.192 HG :: 0.698 HD11 :: 0.233 HD12 :: 0.233 HD13 :: 0.233 HD21 :: -0.397(S) HD22 :: -0.397(S) HD23 :: -0.397(S) 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 :: 117.255 Ave N Shift Values>> N :: 121.98(4.07) 1.Y33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.54 C 0.41 G 0.03 C Shift Assignments>> C :: 175.213 CA :: 57.309 CB :: 42.422 CD1 :: 133.692 CD2 :: 133.692 CE1 :: 118.424 CE2 :: 118.424 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 :: 8.632 HA :: 4.580 HB2 :: 2.593 HB3 :: 3.214 HD1 :: 7.187 HD2 :: 7.187 HE1 :: 7.014 HE2 :: 7.014 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 :: 120.963 Ave N Shift Values>> N :: 120.79(4.69) 1.E34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.36 I 0.16 K 0.06 M 0.02 Q 0.01 C Shift Assignments>> C :: 175.547 CA :: 57.911 CB :: 29.385 CG :: 36.951 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 :: 8.997 HA :: 4.461 HB2 :: 2.017 HB3 :: 2.221 HG2 :: 2.323 HG3 :: 2.323 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 :: 123.146 Ave N Shift Values>> N :: 120.68(3.68) 1.A35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.43 C 0.21 K 0.11 P 0.09 M 0.04 A 0.04 R 0.02 C Shift Assignments>> C :: 174.971 CA :: 51.121 CB :: 24.108 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 :: 4.788 HB1 :: 0.783 HB2 :: 0.783 HB3 :: 0.783 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 129.599 Ave N Shift Values>> N :: 123.23(3.7) 1.K36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 K 0.31 R 0.16 M 0.01 C Shift Assignments>> C :: 175.516 CA :: 54.358 CB :: 36.423 CG :: 24.698 CD :: 29.221 CE :: 41.802 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 :: 8.500 HA :: 5.042 HB2 :: 1.607 HB3 :: 1.484 HG2 :: 1.147 HG3 :: 1.080 HD2 :: 1.553 HD3 :: 1.553 HE2 :: 2.852 HE3 :: 2.852 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 :: 119.167 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.C37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.2 I 0.16 C 0.15 K 0.12 L 0.11 Q 0.07 W 0.06 H 0.04 E 0.03 C Shift Assignments>> C :: 174.185 CA :: 58.721 CB :: 26.342 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.267 HA :: 4.297 HB2 :: 2.794 HB3 :: 2.700 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 :: 122.553 Ave N Shift Values>> N :: 119.95(4.79) 1.V38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.9 C 0.09 C Shift Assignments>> C :: 176.051 CA :: 64.737 CB :: 33.166 CG1 :: 21.266 CG2 :: 22.307 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 :: 9.486 HA :: 3.994 HB :: 2.042 HG11 :: 0.968 HG12 :: 0.968 HG13 :: 0.968 HG21 :: 0.875 HG22 :: 0.875 HG23 :: 0.875 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 :: 130.015 Ave N Shift Values>> N :: 121.02(4.96) 1.K39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 R 0.31 K 0.13 G 0.02 C Shift Assignments>> C :: 174.327 CA :: 54.604 CB :: 37.678 CG :: 25.196 CD :: 29.056 CE :: 42.131 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 :: 7.510 HA :: 4.887 HB2 :: 1.570 HB3 :: 1.937 HG2 :: 1.394 HG3 :: 1.505 HD2 :: 1.763 HD3 :: 1.550 HE2 :: 2.867 HE3 :: 2.867 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 :: 114.272 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.V40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.63 C 0.36 C Shift Assignments>> C :: 174.852 CA :: 61.465 CB :: 34.638 CG1 :: 20.846 CG2 :: 21.228 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 :: 9.065 HA :: 4.760 HB :: 2.051 HG11 :: 0.914 HG12 :: 0.914 HG13 :: 0.914 HG21 :: 1.061 HG22 :: 1.061 HG23 :: 1.061 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 :: 123.508 Ave N Shift Values>> N :: 121.02(4.96) 1.A41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.49 C 0.18 K 0.1 A 0.1 M 0.07 R 0.01 P 0.01 C Shift Assignments>> C :: 174.683 CA :: 51.578 CB :: 23.471 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.186 HA :: 4.754 HB1 :: 1.144 HB2 :: 1.144 HB3 :: 1.144 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 129.483 Ave N Shift Values>> N :: 123.23(3.7) 1.I42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.62 C 0.37 C Shift Assignments>> C :: 175.860 CA :: 60.093 CB :: 38.546 CG1 :: 27.865 CG2 :: 17.461 CD1 :: 13.394 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 :: 8.426 HA :: 4.683 HB :: 1.714 HG12 :: 1.479 HG13 :: 0.967 HG21 :: 0.645 HG22 :: 0.645 HG23 :: 0.645 HD11 :: 0.801 HD12 :: 0.801 HD13 :: 0.801 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 :: 120.932 Ave N Shift Values>> N :: 121.6(4.72) 1.K43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.43 C 0.4 R 0.12 M 0.01 G 0.01 C Shift Assignments>> C :: 175.680 CA :: 54.991 CB :: 34.977 CG :: 24.449 CD :: 28.859 CE :: 42.074 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 :: 8.607 HA :: 4.463 HB2 :: 1.567 HB3 :: 1.430 HG2 :: 1.149 HG3 :: 1.149 HD2 :: 1.380 HD3 :: 1.380 HE2 :: 2.639 HE3 :: 2.639 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 :: 128.550 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.D44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.2 C 0.18 F 0.18 D 0.16 N 0.11 L 0.07 I 0.03 E 0.01 K 0.01 C Shift Assignments>> C :: 175.153 CA :: 55.930 CB :: 39.368 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 :: 9.407 HA :: 4.226 HB2 :: 2.620 HB3 :: 2.826 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 :: 127.323 Ave N Shift Values>> N :: 120.73(4.2) 1.K45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 R 0.31 K 0.3 G 0.01 M 0.01 C Shift Assignments>> C :: 174.532 CA :: 57.612 CB :: 30.158 CG :: 25.405 CD :: 29.115 CE :: 42.368 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 :: 8.715 HA :: 3.564 HB2 :: 2.098 HB3 :: 1.989 HG2 :: 1.381 HG3 :: 1.353 HD2 :: 1.582 HD3 :: 1.661 HE2 :: 2.962 HE3 :: 2.962 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 :: 109.493 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Q46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.4 C 0.3 Q 0.17 E 0.06 K 0.04 C Shift Assignments>> C :: 174.100 CA :: 54.322 CB :: 31.852 CG :: 33.588 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 :: 7.792 HA :: 4.663 HB2 :: 2.154 HB3 :: 2.019 HG2 :: 2.361 HG3 :: 2.361 HE21 :: 6.965 HE22 :: 7.542 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 :: 117.824 NE2 :: 112.349 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.V47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.76 C 0.23 C Shift Assignments>> C :: 175.559 CA :: 62.542 CB :: 32.256 CG1 :: 21.634 CG2 :: 21.903 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 :: 8.679 HA :: 4.339 HB :: 1.874 HG11 :: 0.675 HG12 :: 0.675 HG13 :: 0.675 HG21 :: 0.792 HG22 :: 0.792 HG23 :: 0.792 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 :: 123.291 Ave N Shift Values>> N :: 121.02(4.96) 1.K48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 R 0.32 K 0.14 G 0.01 C Shift Assignments>> C :: 173.666 CA :: 54.326 CB :: 37.475 CG :: 25.294 CD :: 29.498 CE :: 41.967 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 :: 9.041 HA :: 5.169 HB2 :: 1.638 HB3 :: 1.880 HG2 :: 1.392 HG3 :: 1.254 HD2 :: 1.452 HD3 :: 1.394 HE2 :: 2.631 HE3 :: 2.631 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 :: 126.846 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Y49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.58 C 0.38 G 0.03 C Shift Assignments>> C :: 174.333 CA :: 56.328 CB :: 42.444 CD1 :: 133.200 CD2 :: 133.200 CE1 :: 118.472 CE2 :: 118.472 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 9.180 HA :: 5.493 HB2 :: 2.502 HB3 :: 2.800 HD1 :: 7.014 HD2 :: 7.014 HE1 :: 6.879 HE2 :: 6.879 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 116.417 Ave N Shift Values>> N :: 120.79(4.69) 1.F50 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> F 0.52 C 0.47 C Shift Assignments>> C :: 173.595 CA :: 57.032 CB :: 38.513 CD1 :: 130.505 CD2 :: 130.505 CE1 :: 130.623 CE2 :: 130.623 CZ :: 130.554 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 :: 8.833 HA :: 4.241 HB2 :: 2.087 HB3 :: 0.300(A) HD1 :: 5.690 HD2 :: 5.690 HE1 :: 7.102 HE2 :: 7.102 HZ :: 7.169 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 :: 127.511 Ave N Shift Values>> N :: 120.69(4.18) 1.I51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.64 I 0.28 A 0.07 C Shift Assignments>> C :: 173.689 CA :: 57.102 CB :: 38.830 CG1 :: 26.556 CG2 :: 16.943 CD1 :: 10.283 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 :: 8.397 HA :: 4.344 HB :: 1.589 HG12 :: 1.294 HG13 :: 1.326 HG21 :: -0.147 HG22 :: -0.147 HG23 :: -0.147 HD11 :: 0.219 HD12 :: 0.219 HD13 :: 0.219 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 :: 130.287 Ave N Shift Values>> N :: 121.6(4.72) 1.H52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.43 W 0.3 C 0.25 C Shift Assignments>> C :: 174.658 CA :: 53.056 CB :: 31.153 CD2 :: 119.836 CE1 :: 136.789 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 :: 7.713 HA :: 4.944 HB2 :: 2.773 HB3 :: 2.654 HD2 :: 6.884 HE1 :: 8.380 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 :: 119.645 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.Y53 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Y 0.52 C 0.46 C Shift Assignments>> C :: 175.411 CA :: 58.615 CB :: 37.475 CD1 :: 133.204 CD2 :: 133.204 CE1 :: 117.094 CE2 :: 117.094 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 :: 8.134 HA :: 3.841 HB2 :: 1.991 HB3 :: 1.500(S) HD1 :: 6.647 HD2 :: 6.647 HE1 :: 6.541 HE2 :: 6.541 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 :: 129.353 Ave N Shift Values>> N :: 120.79(4.69) 1.S54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.486 CA :: 59.741 CB :: 62.835 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.996 HA :: 4.026 HB2 :: 3.747 HB3 :: 3.475 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 :: 117.640 Ave N Shift Values>> N :: 116.3(3.95) 1.G55 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 :: 174.299 CA :: 45.338 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> HA2 :: 3.734 HA3 :: 4.133 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) 1.W56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.54 C 0.45 C Shift Assignments>> CA :: 55.124 CB :: 30.365 CD1 :: 124.709 CE3 :: 120.755 CZ2 :: 113.144 CZ3 :: 120.550 CH2 :: 123.543 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 7.978 HA :: 4.882 HB2 :: 3.031 HB3 :: 3.130 HD1 :: 6.724 HE1 :: 9.207 HE3 :: 6.928 HZ2 :: 6.175 HZ3 :: 5.675 HH2 :: 5.911 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 :: 121.406 NE1 :: 126.572 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.N57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.35 D 0.2 C 0.16 Y 0.1 F 0.08 L 0.04 E 0.01 C Shift Assignments>> CA :: 53.839 CB :: 38.953 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 :: 7.155 HA :: 4.587 HB2 :: 2.715 HB3 :: 2.571 HD21 :: 6.891 HD22 :: 7.547 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> ND2 :: 113.484 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.K58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> K 0.38 C 0.37 R 0.18 M 0.04 C Shift Assignments>> C :: 177.271 CA :: 57.728 CB :: 32.138 CG :: 24.533 CD :: 29.550 CE :: 42.049 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>> HA :: 4.410 HB2 :: 1.766 HB3 :: 2.294 HG2 :: 1.369 HD2 :: 1.550 HE2 :: 2.907 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.N59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 N 0.22 Y 0.14 E 0.13 F 0.08 D 0.05 M 0.04 I 0.01 K 0.01 L 0.01 HN Overlap>> 1.G29 1.G29 C Shift Assignments>> C :: 176.005 CA :: 54.921 CB :: 37.425 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 :: 8.873 HA :: 4.508 HB2 :: 2.524 HB3 :: 2.524 HD21 :: 7.179 HD22 :: 6.593 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 :: 119.063 ND2 :: 112.181 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.W60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.53 C 0.43 H 0.02 C Shift Assignments>> C :: 175.239 CA :: 56.328 CB :: 30.352 CD1 :: 126.115 CE3 :: 120.690 CZ2 :: 114.003 CZ3 :: 121.351 CH2 :: 124.362 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 7.943 HA :: 4.673 HB2 :: 3.295 HB3 :: 3.355 HD1 :: 7.148 HE1 :: 9.849 HE3 :: 6.933 HZ2 :: 7.172 HZ3 :: 6.355 HH2 :: 6.890 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 119.094 NE1 :: 127.390 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.D61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.2 F 0.16 Y 0.15 C 0.14 L 0.13 N 0.08 K 0.07 I 0.01 C Shift Assignments>> C :: 176.825 CA :: 55.730 CB :: 40.323 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 :: 7.715 HA :: 4.774 HB2 :: 2.613 HB3 :: 2.286 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 :: 121.384 Ave N Shift Values>> N :: 120.73(4.2) 1.E62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.39 C 0.33 Q 0.14 E 0.1 K 0.02 HN Overlap>> 1.L32 1.L32 C Shift Assignments>> C :: 174.458 CA :: 54.745 CB :: 32.263 CG :: 34.248 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 :: 7.521 HA :: 4.817 HB2 :: 2.273 HB3 :: 2.127 HG2 :: 2.664 HG3 :: 2.215 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 :: 117.205 Ave N Shift Values>> N :: 120.68(3.68) 1.W63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.47 C 0.46 H 0.05 C Shift Assignments>> C :: 177.683 CA :: 56.785 CB :: 30.335 CD1 :: 128.166 CE3 :: 120.443 CZ2 :: 114.837 CZ3 :: 122.828 CH2 :: 124.357 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 :: 8.874 HA :: 5.513 HB2 :: 2.953 HB3 :: 3.296 HD1 :: 7.546 HE1 :: 10.103 HE3 :: 7.296 HZ2 :: 7.244 HZ3 :: 6.803 HH2 :: 6.872 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 :: 121.410 NE1 :: 130.952 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.V64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.64 V 0.32 A 0.03 C Shift Assignments>> C :: 173.184 CA :: 57.775 CB :: 34.335 CG1 :: 21.597 CG2 :: 20.622 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 :: 10.066 HA :: 5.133 HB :: 2.166 HG11 :: 0.992 HG12 :: 0.992 HG13 :: 0.992 HG21 :: 0.987 HG22 :: 0.987 HG23 :: 0.987 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 119.495 Ave N Shift Values>> N :: 121.02(4.96) 1.P65 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>> C :: 177.197 CA :: 62.098 CB :: 32.677 CG :: 27.247 CD :: 50.667 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 :: 5.020 HB2 :: 2.489 HB3 :: 2.381 HG2 :: 2.168 HG3 :: 2.085 HD2 :: 3.806 HD3 :: 3.945 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.E66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 I 0.34 E 0.06 K 0.01 C Shift Assignments>> C :: 176.360 CA :: 60.366 CB :: 31.446 CG :: 39.201 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 :: 8.260 HA :: 4.165 HB2 :: 2.513 HB3 :: 2.400 HG2 :: 2.685 HG3 :: 2.685 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 :: 120.440 Ave N Shift Values>> N :: 120.68(3.68) 1.S67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.185 CA :: 60.339 CB :: 62.525 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.275 HA :: 4.384 HB2 :: 4.069 HB3 :: 4.069 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 :: 109.774 Ave N Shift Values>> N :: 116.3(3.95) 1.R68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.4 C 0.36 K 0.13 G 0.09 C Shift Assignments>> C :: 172.771 CA :: 56.785 CB :: 31.221 CG :: 27.987 CD :: 43.612 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 :: 7.942 HA :: 4.595 HB2 :: 2.637 HB3 :: 1.845 HG2 :: 1.968 HG3 :: 1.845 HD2 :: 3.255 HD3 :: 3.315 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 :: 121.521 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.V69 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.7 C 0.29 C Shift Assignments>> C :: 173.213 CA :: 62.025 CB :: 32.672 CG1 :: 21.251 CG2 :: 22.699 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 :: 7.788 HA :: 4.217 HB :: 1.510 HG11 :: -0.495(S) HG12 :: -0.495(S) HG13 :: -0.495(S) HG21 :: 0.563 HG22 :: 0.563 HG23 :: 0.563 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 119.315 Ave N Shift Values>> N :: 121.02(4.96) 1.L70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.49 L 0.24 C 0.23 A 0.02 C Shift Assignments>> C :: 176.409 CA :: 53.056 CB :: 46.126 CG :: 27.411 CD1 :: 25.931 CD2 :: 23.802 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 :: 8.970 HA :: 4.952 HB2 :: 1.609 HB3 :: 1.303 HG :: 1.518 HD11 :: 0.702 HD12 :: 0.702 HD13 :: 0.702 HD21 :: 0.928 HD22 :: 0.928 HD23 :: 0.928 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 :: 124.407 Ave N Shift Values>> N :: 121.98(4.07) 1.K71 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.47 C 0.39 R 0.09 M 0.03 C Shift Assignments>> C :: 177.454 CA :: 55.132 CB :: 33.941 CG :: 24.451 CD :: 29.138 CE :: 41.636 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 :: 8.539 HA :: 4.613 HB2 :: 1.663 HB3 :: 1.913 HG2 :: 1.416 HG3 :: 1.625 HD2 :: 1.929 HD3 :: 1.716 HE2 :: 2.135(S) HE3 :: 2.725 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 :: 118.391 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Y72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.54 C 0.44 C Shift Assignments>> C :: 173.195 CA :: 58.932 CB :: 37.526 CD1 :: 132.859 CD2 :: 132.859 CE1 :: 118.293 CE2 :: 118.293 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 9.083 HA :: 4.064 HB2 :: 3.444 HB3 :: 2.425 HD1 :: 6.846 HD2 :: 6.846 HE1 :: 6.615 HE2 :: 6.615 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 :: 125.851 Ave N Shift Values>> N :: 120.79(4.69) 1.V73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.76 V 0.16 I 0.04 A 0.01 C Shift Assignments>> C :: 176.358 CA :: 58.932 CB :: 35.922 CG1 :: 22.122 CG2 :: 19.071 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 :: 7.160 HA :: 4.749 HB :: 2.379 HG11 :: 0.943 HG12 :: 0.943 HG13 :: 0.943 HG21 :: 0.841 HG22 :: 0.841 HG23 :: 0.841 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 :: 118.912 Ave N Shift Values>> N :: 121.02(4.96) 1.D74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> F 0.28 Y 0.24 C 0.17 I 0.12 K 0.05 L 0.05 D 0.03 C Shift Assignments>> CA :: 58.708 CB :: 40.238 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>> HA :: 4.234 HB2 :: 2.705 HB3 :: 2.705 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) 1.T75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> T 0.97 C 0.02 C Shift Assignments>> C :: 176.848 CA :: 65.793 CB :: 68.468 CG2 :: 22.093 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>> HA :: 3.976 HB :: 3.988 HG21 :: 1.224 HG22 :: 1.224 HG23 :: 1.224 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) 1.N76 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> N 0.3 C 0.19 D 0.15 Y 0.13 F 0.1 L 0.03 E 0.03 I 0.01 M 0.01 C Shift Assignments>> C :: 176.742 CA :: 54.428 CB :: 38.595 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 :: 7.161 HA :: 4.775 HB2 :: 2.444 HB3 :: 2.782 HD21 :: 7.292 HD22 :: 8.935(S) 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 :: 119.353 ND2 :: 116.825 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.L77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 C 0.41 R 0.02 C Shift Assignments>> C :: 179.943 CA :: 57.771 CB :: 40.973 CG :: 27.247 CD1 :: 24.533 CD2 :: 22.446 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 :: 7.962 HA :: 3.935 HB2 :: 1.362 HB3 :: 1.786 HG :: 1.022 HD11 :: 0.482 HD12 :: 0.482 HD13 :: 0.482 HD21 :: 0.445 HD22 :: 0.445 HD23 :: 0.445 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 :: 125.132 Ave N Shift Values>> N :: 121.98(4.07) 1.Q78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 K 0.2 Q 0.19 R 0.15 E 0.03 I 0.02 P 0.01 M 0.01 C Shift Assignments>> C :: 178.368 CA :: 59.002 CB :: 27.247 CG :: 33.250 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 :: 8.114 HA :: 3.985 HB2 :: 2.093 HB3 :: 2.093 HG2 :: 2.374 HG3 :: 2.374 HE21 :: 7.684 HE22 :: 6.816 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 :: 119.999 NE2 :: 112.485 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.K79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.37 C 0.35 R 0.24 M 0.02 C Shift Assignments>> C :: 177.897 CA :: 58.932 CB :: 31.441 CG :: 24.287 CD :: 28.645 CE :: 41.866 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 :: 7.148 HA :: 4.085 HB2 :: 1.945 HB3 :: 1.895 HG2 :: 1.433 HG3 :: 1.561 HD2 :: 1.705 HD3 :: 1.736 HE2 :: 2.954 HE3 :: 3.057 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 :: 120.371 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Q80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 K 0.24 R 0.17 Q 0.16 P 0.03 E 0.02 M 0.02 I 0.01 C Shift Assignments>> C :: 178.385 CA :: 59.389 CB :: 27.911 CG :: 32.757 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 :: 8.137 HA :: 3.773 HB2 :: 2.615 HB3 :: 1.595 HG2 :: 1.904 HG3 :: 2.347 HE21 :: 6.708 HE22 :: 7.301 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 :: 118.481 NE2 :: 109.701 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.R81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.37 G 0.09 K 0.07 C Shift Assignments>> C :: 178.903 CA :: 59.319 CB :: 30.058 CG :: 27.823 CD :: 43.447 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 :: 7.767 HA :: 3.985 HB2 :: 1.885 HB3 :: 1.954 HG2 :: 1.795 HG3 :: 1.594 HD2 :: 3.155 HD3 :: 3.238 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 :: 119.858 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.E82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.33 I 0.19 K 0.07 Q 0.03 M 0.02 HN Overlap>> 1.Y91 1.Y91 C Shift Assignments>> C :: 180.259 CA :: 59.424 CB :: 29.385 CG :: 36.210 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 :: 8.205 HA :: 3.980 HB2 :: 2.197 HB3 :: 2.102 HG2 :: 2.442 HG3 :: 2.270 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.025 Ave N Shift Values>> N :: 120.68(3.68) 1.L83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.48 C 0.35 R 0.13 G 0.01 C Shift Assignments>> C :: 179.922 CA :: 57.806 CB :: 42.171 CG :: 26.886 CD1 :: 26.137 CD2 :: 22.313 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 :: 8.497 HA :: 4.101 HB2 :: 2.005 HB3 :: 1.549 HG :: 1.913 HD11 :: 1.053 HD12 :: 1.053 HD13 :: 1.053 HD21 :: 0.985 HD22 :: 0.985 HD23 :: 0.985 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 :: 120.268 Ave N Shift Values>> N :: 121.98(4.07) 1.Q84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 K 0.23 Q 0.22 R 0.12 E 0.05 I 0.02 M 0.02 P 0.01 C Shift Assignments>> C :: 178.161 CA :: 58.861 CB :: 27.823 CG :: 33.358 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 :: 7.698 HA :: 3.790 HB2 :: 1.763 HB3 :: 2.159 HG2 :: 2.334 HG3 :: 2.334 HE21 :: 6.104 HE22 :: 6.985 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 :: 119.059 NE2 :: 108.611 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.K85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.41 C 0.38 R 0.17 M 0.02 C Shift Assignments>> C :: 178.171 CA :: 58.685 CB :: 32.448 CG :: 24.944 CD :: 29.221 CE :: 41.967 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 :: 7.604 HA :: 4.052 HB2 :: 1.896 HB3 :: 1.896 HG2 :: 1.443 HG3 :: 1.550 HD2 :: 1.676 HD3 :: 1.676 HE2 :: 2.946 HE3 :: 2.946 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 :: 118.087 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.A86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.65 M 0.28 C 0.03 L 0.01 C Shift Assignments>> C :: 178.109 CA :: 53.445 CB :: 19.272 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.640 HA :: 4.321 HB1 :: 1.488 HB2 :: 1.488 HB3 :: 1.488 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.357 Ave N Shift Values>> N :: 123.23(3.7) 1.N87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 N 0.27 C 0.12 L 0.1 F 0.07 Y 0.07 K 0.02 HN Overlap>> 1.L32 1.L32 C Shift Assignments>> C :: 175.223 CA :: 53.443 CB :: 40.075 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 :: 7.656 HA :: 4.966 HB2 :: 2.805 HB3 :: 2.779 HD21 :: 7.363 HD22 :: 7.826 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 :: 117.341 ND2 :: 115.102 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.Q88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 Q 0.23 K 0.22 E 0.15 R 0.04 M 0.03 I 0.02 HN Overlap>> 1.M8 1.M8 C Shift Assignments>> C :: 177.967 CA :: 58.566 CB :: 29.052 CG :: 34.072 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 :: 8.217 HA :: 4.236 HB2 :: 2.172 HB3 :: 2.172 HG2 :: 2.510 HG3 :: 2.510 HE21 :: 7.588 HE22 :: 6.890 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 :: 119.767 NE2 :: 112.212 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.E89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.35 C 0.34 I 0.18 K 0.06 M 0.02 Q 0.01 HN Overlap>> 1.V24 1.V24 C Shift Assignments>> C :: 178.065 CA :: 58.650 CB :: 29.438 CG :: 36.622 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 :: 8.657 HA :: 4.167 HB2 :: 2.039 HB3 :: 2.039 HG2 :: 2.345 HG3 :: 2.293 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 :: 120.527 Ave N Shift Values>> N :: 120.68(3.68) 1.Q90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 Q 0.25 K 0.23 E 0.13 R 0.05 M 0.03 I 0.02 C Shift Assignments>> C :: 177.441 CA :: 57.665 CB :: 28.645 CG :: 34.072 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 :: 8.254 HA :: 4.190 HB2 :: 2.027 HB3 :: 2.027 HG2 :: 2.343 HG3 :: 2.343 HE21 :: 7.567 HE22 :: 6.875 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 :: 119.642 NE2 :: 112.303 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.Y91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.56 C 0.43 HN Overlap>> 1.E82 1.E82 C Shift Assignments>> C :: 176.595 CA :: 58.791 CB :: 38.358 CD1 :: 133.085 CD2 :: 133.085 CE1 :: 118.281 CE2 :: 118.281 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 :: 8.285 HA :: 4.554 HB2 :: 3.123 HB3 :: 3.035 HD1 :: 7.169 HD2 :: 7.169 HE1 :: 6.766 HE2 :: 6.766 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 121.090 Ave N Shift Values>> N :: 120.79(4.69) 1.A92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.6 M 0.35 C 0.02 C Shift Assignments>> C :: 178.884 CA :: 53.795 CB :: 18.668 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.117 HA :: 4.077 HB1 :: 1.428 HB2 :: 1.428 HB3 :: 1.428 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.804 Ave N Shift Values>> N :: 123.23(3.7) 1.E93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.34 I 0.11 K 0.09 M 0.04 Q 0.04 C Shift Assignments>> C :: 178.066 CA :: 58.017 CB :: 29.683 CG :: 36.293 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 :: 8.045 HA :: 4.056 HB2 :: 2.018 HB3 :: 2.018 HG2 :: 2.200 HG3 :: 2.300 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 :: 119.013 Ave N Shift Values>> N :: 120.68(3.68) 1.G94 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 C Shift Assignments>> C :: 175.260 CA :: 46.120 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.155 HA2 :: 3.622 HA3 :: 3.985 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.540 Ave N Shift Values>> N :: 109.91(4.29) 1.K95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.38 C 0.37 R 0.19 M 0.03 C Shift Assignments>> C :: 177.811 CA :: 57.313 CB :: 32.558 CG :: 24.734 CD :: 29.056 CE :: 41.983 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 :: 7.934 HA :: 4.178 HB2 :: 1.715 HB3 :: 1.665 HG2 :: 1.274 HG3 :: 1.274 HD2 :: 1.518 HD3 :: 1.518 HE2 :: 2.804 HE3 :: 2.804 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 :: 120.556 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.M96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.47 C 0.43 A 0.08 C Shift Assignments>> C :: 176.899 CA :: 56.258 CB :: 32.241 CG :: 32.017 CE :: 16.847 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 :: 7.946 HA :: 4.296 HB2 :: 2.028 HB3 :: 1.968 HG2 :: 2.520 HG3 :: 2.440 HE1 :: 1.974 HE2 :: 1.974 HE3 :: 1.974 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 :: 119.634 Ave N Shift Values>> N :: 120.1(3.88) 1.R97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.43 C 0.36 K 0.14 G 0.03 L 0.02 C Shift Assignments>> C :: 176.585 CA :: 56.926 CB :: 30.043 CG :: 27.126 CD :: 42.789 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 :: 7.860 HA :: 4.090 HB2 :: 1.295 HB3 :: 1.259 HG2 :: 1.168 HG3 :: 1.297 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 :: 120.674 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.G98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.7 L 0.12 C 0.08 R 0.06 C Shift Assignments>> C :: 173.645 CA :: 45.069 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.954 HA2 :: 3.866 HA3 :: 3.866 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.296 Ave N Shift Values>> N :: 109.91(4.29) 1.A99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.76 M 0.18 C 0.03 L 0.01 C Shift Assignments>> C :: 176.392 CA :: 52.387 CB :: 19.645 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.927 HA :: 4.326 HB1 :: 1.377 HB2 :: 1.377 HB3 :: 1.377 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.703 Ave N Shift Values>> N :: 123.23(3.7) 1.A100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.56 M 0.32 C 0.04 L 0.04 V 0.01 C Shift Assignments>> C :: 182.706 CA :: 53.900 CB :: 20.077 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.922 HA :: 4.091 HB1 :: 1.330 HB2 :: 1.330 HB3 :: 1.330 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 128.703 Ave N Shift Values>> N :: 123.23(3.7) ########################################################################### Overall Results: #Consistent: 94 #Clerical: 0 #Suspicious: 5 #Anomalous: 1 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 94 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 6 Shift Relative Order (SRO) Results: #Consistent: 100 #Suspicious: 0 C Shift Results: #Consistent: 439 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 682 #Duplicate: 0 #Unknown: 0 #Suspicious: 9 #Anomalous: 1 N Shift Results: #Consistent: 98 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.L32 HD21 = -0.397(S), Expected = 0.76, Std = 0.2800, ChiSquare = 3.5940e-05 1.L32 HD22 = -0.397(S), Expected = 0.76, Std = 0.2800, ChiSquare = 3.5940e-05 1.L32 HD23 = -0.397(S), Expected = 0.76, Std = 0.2800, ChiSquare = 3.5940e-05 1.F50 HB3 = 0.300(A), Expected = 2.97, Std = 0.3800, ChiSquare = 2.1206e-12 1.Y53 HB3 = 1.500(S), Expected = 2.91, Std = 0.3700, ChiSquare = 1.3851e-04 1.V69 HG11 = -0.495(S), Expected = 0.84, Std = 0.2700, ChiSquare = 7.6361e-07 1.V69 HG12 = -0.495(S), Expected = 0.84, Std = 0.2700, ChiSquare = 7.6361e-07 1.V69 HG13 = -0.495(S), Expected = 0.84, Std = 0.2700, ChiSquare = 7.6361e-07 1.K71 HE2 = 2.135(S), Expected = 2.93, Std = 0.2000, ChiSquare = 7.0379e-05 1.N76 HD22 = 8.935(S), Expected = 7.20, Std = 0.5200, ChiSquare = 8.4829e-04