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: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.028 CA :: 58.531 CB :: 64.123 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.331 HA :: 4.578 HB2 :: 3.936 HB3 :: 3.882 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.929 Ave N Shift Values>> N :: 116.3(3.95) 1.S6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.303 CA :: 58.886 CB :: 64.123 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.615 HA :: 4.529 HB2 :: 3.977 HB3 :: 3.977 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 118.301 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 0.81 C 0.1 L 0.06 C Shift Assignments>> C :: 173.741 CA :: 46.062 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.555 HA2 :: 4.111 HA3 :: 4.111 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.611 Ave N Shift Values>> N :: 109.91(4.29) 1.R8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 R 0.26 K 0.25 G 0.08 HN Overlap>> 1.K130 1.K130 C Shift Assignments>> C :: 174.935 CA :: 54.969 CB :: 33.235 CG :: 28.317 CD :: 43.358 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 :: 8.084 HA :: 4.620 HB2 :: 1.523 HB3 :: 1.405 HG2 :: 1.573 HG3 :: 1.227 HD2 :: 2.857 HD3 :: 2.756 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 :: 118.913 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.L9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 C 0.21 G 0.2 R 0.06 C Shift Assignments>> C :: 174.257 CA :: 52.710 CB :: 43.479 CG :: 26.363 CD1 :: 25.722 CD2 :: 26.491 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 :: 8.637 HA :: 4.133 HB2 :: 1.004 HB3 :: 1.213 HG :: 1.382 HD11 :: 0.465 HD12 :: 0.465 HD13 :: 0.465 HD21 :: 0.430 HD22 :: 0.430 HD23 :: 0.430 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 123.284 Ave N Shift Values>> N :: 121.98(4.07) 1.P10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.74 C 0.24 C Shift Assignments>> C :: 178.073 CA :: 63.265 CB :: 32.926 CG :: 28.087 CD :: 51.366 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 :: 4.469 HB2 :: 2.364 HB3 :: 1.550 HG2 :: 1.943 HG3 :: 1.835 HD2 :: 4.236 HD3 :: 3.386 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.V11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.94 C 0.05 C Shift Assignments>> C :: 177.507 CA :: 66.721 CB :: 32.128 CG1 :: 23.416 CG2 :: 20.726 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 :: 8.539 HA :: 3.625 HB :: 2.081 HG11 :: 1.132 HG12 :: 1.132 HG13 :: 1.132 HG21 :: 1.199 HG22 :: 1.199 HG23 :: 1.199 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 :: 124.077 Ave N Shift Values>> N :: 121.02(4.96) 1.N12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 E 0.22 Y 0.17 F 0.09 N 0.06 M 0.05 I 0.04 K 0.02 D 0.02 C Shift Assignments>> C :: 178.176 CA :: 56.459 CB :: 37.116 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 9.020 HA :: 4.518 HB2 :: 2.781 HB3 :: 2.781 HD21 :: 7.527 HD22 :: 6.686 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 :: 116.943 ND2 :: 112.191 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.F13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 F 0.46 C Shift Assignments>> C :: 177.906 CA :: 58.298 CB :: 37.832 CD1 :: 130.524 CD2 :: 130.524 CE1 :: 131.963 CE2 :: 131.963 CZ :: 130.395 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 :: 7.223 HA :: 4.749 HB2 :: 3.006 HB3 :: 2.638 HD1 :: 7.197 HD2 :: 7.197 HE1 :: 7.552 HE2 :: 7.552 HZ :: 7.459 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 118.643 Ave N Shift Values>> N :: 120.69(4.18) 1.F14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.43 F 0.41 C 0.15 C Shift Assignments>> C :: 176.219 CA :: 62.189 CB :: 39.559 CD1 :: 132.190 CD2 :: 132.190 CZ :: 129.447 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 :: 8.003 HA :: 4.195 HB2 :: 2.983 HB3 :: 3.497 HD1 :: 7.146 HD2 :: 7.146 HE1 :: 7.425 HE2 :: 7.425 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 :: 119.635 Ave N Shift Values>> N :: 120.69(4.18) 1.K15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 R 0.35 K 0.2 G 0.01 C Shift Assignments>> CA :: 60.170 CB :: 33.060 CG :: 26.916 CD :: 30.026 CE :: 42.178 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 :: 8.692 HA :: 3.677 HB2 :: 1.892 HB3 :: 1.892 HG2 :: 2.001 HG3 :: 1.543 HD2 :: 1.837 HD3 :: 1.798 HE2 :: 3.003 HE3 :: 3.003 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 :: 115.811 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.F16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.64 C 0.34 C Shift Assignments>> CA :: 59.781 CB :: 40.283 CD1 :: 131.600 CD2 :: 131.600 CE1 :: 131.553 CE2 :: 131.553 CZ :: 129.896 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 :: 7.686 HA :: 4.561 HB2 :: 3.270 HB3 :: 3.059 HD1 :: 7.239 HD2 :: 7.239 HE1 :: 7.290 HE2 :: 7.290 HZ :: 7.237 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 :: 113.689 Ave N Shift Values>> N :: 120.69(4.18) 1.Q17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 K 0.26 Q 0.23 R 0.13 E 0.05 M 0.04 C Shift Assignments>> CA :: 57.765 CB :: 28.429 CG :: 33.048 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 :: 8.273 HA :: 4.131 HB2 :: 1.890 HB3 :: 1.819 HG2 :: 2.362 HG3 :: 1.998 HE21 :: 7.345 HE22 :: 6.931 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>> NE2 :: 109.771 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.F18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.45 Y 0.29 C 0.25 C Shift Assignments>> CA :: 59.753 CB :: 40.382 CD1 :: 130.734 CD2 :: 130.734 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 :: 7.941 HA :: 4.258 HB2 :: 3.098 HB3 :: 2.845 HD1 :: 7.212 HD2 :: 7.212 HE1 :: 7.066 HE2 :: 7.066 HZ :: 7.215 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 :: 114.562 Ave N Shift Values>> N :: 120.69(4.18) 1.R19 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> R 0.66 K 0.14 G 0.13 L 0.05 C Shift Assignments>> CB :: 29.663 CG :: 26.544 CD :: 43.418 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 :: 6.387 HB2 :: 1.028 HB3 :: 0.933 HG3 :: 0.610(S) HD2 :: 2.407 HD3 :: 2.280(S) 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) 1.N20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> N 0.37 D 0.21 C 0.16 Y 0.09 F 0.08 L 0.04 E 0.01 C Shift Assignments>> CA :: 53.663 CB :: 39.013 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 :: 8.762 HA :: 5.054 HB2 :: 3.158 HB3 :: 2.749 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) 1.V21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.61 C 0.38 C Shift Assignments>> CA :: 61.188 CB :: 33.265 CG1 :: 21.733 CG2 :: 19.659 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 :: 8.796 HA :: 4.082 HB :: 1.877 HG11 :: 0.711 HG12 :: 0.711 HG13 :: 0.711 HG21 :: 0.626 HG22 :: 0.626 HG23 :: 0.626 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) 1.E22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> E 0.32 C 0.31 K 0.12 Q 0.09 M 0.07 I 0.05 C Shift Assignments>> CA :: 57.611 CB :: 29.928 CG :: 35.694 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 :: 8.776 HA :: 4.038 HB2 :: 1.777 HB3 :: 1.726 HG2 :: 2.101 HG3 :: 1.877 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) 1.Y23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> Y 0.57 C 0.42 C Shift Assignments>> CA :: 56.909 CB :: 39.563 CD1 :: 133.379 CD2 :: 133.379 CE1 :: 118.357 CE2 :: 118.357 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 :: 7.755 HA :: 4.814 HB2 :: 3.062 HB3 :: 3.009 HD1 :: 7.092 HD2 :: 7.092 HE1 :: 6.773 HE2 :: 6.773 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) 1.S24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 174.561 CA :: 58.906 CB :: 64.022 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> HA :: 4.392 HB2 :: 3.931 HB3 :: 3.890 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.S25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.015 CA :: 58.786 CB :: 63.954 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.171 HA :: 4.447 HB2 :: 3.897 HB3 :: 3.897 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 :: 117.489 Ave N Shift Values>> N :: 116.3(3.95) 1.G26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 C 0.08 L 0.08 R 0.02 C Shift Assignments>> C :: 173.926 CA :: 45.536 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.501 HA2 :: 3.941 HA3 :: 4.141 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.967 Ave N Shift Values>> N :: 109.91(4.29) 1.R27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.45 C 0.35 K 0.09 G 0.08 L 0.01 C Shift Assignments>> C :: 175.787 CA :: 55.963 CB :: 30.254 CG :: 27.492 CD :: 43.489 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 :: 8.024 HA :: 4.419 HB2 :: 1.626 HB3 :: 1.824 HG2 :: 1.463 HG3 :: 1.281 HD2 :: 2.998 HD3 :: 2.961 HE :: 7.263 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 :: 120.832 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.N28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.31 D 0.28 C 0.13 L 0.08 Y 0.07 F 0.07 K 0.01 C Shift Assignments>> C :: 174.036 CA :: 53.340 CB :: 39.827 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 :: 8.370 HA :: 4.716 HB2 :: 2.727 HB3 :: 2.678 HD21 :: 7.423 HD22 :: 6.772 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 120.956 ND2 :: 112.845 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.K29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 K 0.36 R 0.19 M 0.02 G 0.01 C Shift Assignments>> C :: 174.603 CA :: 55.729 CB :: 35.241 CG :: 24.705 CD :: 29.538 CE :: 42.120 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 :: 7.852 HA :: 4.319 HB2 :: 1.623 HB3 :: 1.623 HG2 :: 1.256 HG3 :: 1.175 HD2 :: 1.618 HD3 :: 1.618 HE2 :: 2.840 HE3 :: 2.793 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 :: 121.278 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.T30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> T 0.87 C 0.12 C Shift Assignments>> CA :: 63.168 CB :: 68.414 CG2 :: 23.341 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 :: 8.277 HA :: 3.814 HB :: 4.034 HG21 :: 0.898 HG22 :: 0.898 HG23 :: 0.898 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.F31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.56 C 0.3 G 0.12 C Shift Assignments>> C :: 172.994 CA :: 57.458 CB :: 43.367 CD1 :: 131.272 CD2 :: 131.272 CE1 :: 131.400 CE2 :: 131.400 CZ :: 129.889 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 :: 8.114 HA :: 4.834 HB2 :: 2.783 HB3 :: 2.704 HD1 :: 7.093 HD2 :: 7.093 HE1 :: 7.100 HE2 :: 7.100 HZ :: 6.767 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 123.780 Ave N Shift Values>> N :: 120.69(4.18) 1.L32 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.69 G 0.18 L 0.11 A 0.01 C Shift Assignments>> C :: 175.363 CA :: 54.606 CB :: 47.481 CG :: 28.298 CD1 :: 25.943 CD2 :: 24.511 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 :: 9.049 HA :: 5.028 HB2 :: 1.468 HB3 :: 0.967 HG :: 0.896 HD11 :: -0.619(S) HD12 :: -0.619(S) HD13 :: -0.619(S) HD21 :: -0.166(S) HD22 :: -0.166(S) HD23 :: -0.166(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 :: 127.072 Ave N Shift Values>> N :: 121.98(4.07) 1.C33 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.14 K 0.13 Q 0.12 C 0.11 W 0.11 H 0.09 E 0.09 I 0.07 L 0.05 M 0.01 C Shift Assignments>> C :: 173.467 CA :: 58.009 CB :: 28.076 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 9.517 HA :: 5.069 HB2 :: 2.587 HB3 :: 1.360(S) 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 :: 125.285 Ave N Shift Values>> N :: 119.95(4.79) 1.Y34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 R 0.24 D 0.11 C 0.11 K 0.08 F 0.04 G 0.04 Y 0.03 N 0.01 C Shift Assignments>> C :: 173.449 CA :: 54.950 CB :: 43.186 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 :: 9.046 HA :: 6.319 HB2 :: 2.583 HB3 :: 3.011 HD1 :: 6.821 HD2 :: 6.821 HE1 :: 6.510 HE2 :: 6.510 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 :: 120.832 Ave N Shift Values>> N :: 120.79(4.69) 1.V35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.65 C 0.33 C Shift Assignments>> C :: 176.172 CA :: 62.579 CB :: 35.772 CG1 :: 21.466 CG2 :: 21.622 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 :: 9.286 HA :: 4.980 HB :: 2.297 HG11 :: 1.168 HG12 :: 1.168 HG13 :: 1.168 HG21 :: 1.421 HG22 :: 1.421 HG23 :: 1.421 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 :: 118.745 Ave N Shift Values>> N :: 121.02(4.96) 1.V36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.7 C 0.29 C Shift Assignments>> C :: 174.629 CA :: 62.085 CB :: 34.006 CG1 :: 21.892 CG2 :: 22.007 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 :: 9.625 HA :: 4.711 HB :: 2.455 HG11 :: 1.159 HG12 :: 1.159 HG13 :: 1.159 HG21 :: 1.332 HG22 :: 1.332 HG23 :: 1.332 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 :: 127.311 Ave N Shift Values>> N :: 121.02(4.96) 1.E37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.65 E 0.18 M 0.13 I 0.01 C Shift Assignments>> C :: 175.047 CA :: 55.190 CB :: 32.641 CG :: 37.765 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 :: 9.002 HA :: 5.243 HB2 :: 2.159 HB3 :: 2.262 HG2 :: 2.043 HG3 :: 2.230 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 :: 128.632 Ave N Shift Values>> N :: 120.68(3.68) 1.V38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.53 C 0.45 C Shift Assignments>> C :: 175.873 CA :: 60.651 CB :: 34.261 CG1 :: 22.734 CG2 :: 21.744 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 :: 8.913 HA :: 4.891 HB :: 1.868 HG11 :: 0.596 HG12 :: 0.596 HG13 :: 0.596 HG21 :: 0.886 HG22 :: 0.886 HG23 :: 0.886 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 :: 125.355 Ave N Shift Values>> N :: 121.02(4.96) 1.Q39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.4 C 0.32 Q 0.15 E 0.07 K 0.02 C Shift Assignments>> C :: 175.163 CA :: 54.806 CB :: 32.221 CG :: 33.804 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 :: 8.880 HA :: 4.941 HB2 :: 1.859 HB3 :: 2.018 HG2 :: 2.148 HG3 :: 2.328 HE21 :: 7.522 HE22 :: 6.754 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 125.971 NE2 :: 111.415 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.S40 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 :: 175.209 CA :: 56.817 CB :: 65.450 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.643 HA :: 4.760 HB2 :: 3.825 HB3 :: 4.034 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 :: 120.103 Ave N Shift Values>> N :: 116.3(3.95) 1.K41 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 :: 177.901 CA :: 58.701 CB :: 32.145 CG :: 24.971 CD :: 29.453 CE :: 42.183 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 :: 8.958 HA :: 4.128 HB2 :: 1.868 HB3 :: 1.868 HG2 :: 1.447 HG3 :: 1.521 HD2 :: 1.718 HD3 :: 1.718 HE2 :: 3.031 HE3 :: 3.031 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 :: 123.217 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.G42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.79 C 0.08 L 0.08 R 0.02 C Shift Assignments>> C :: 174.758 CA :: 45.495 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> HA2 :: 4.100 HA3 :: 4.025 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) 1.G43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.61 L 0.15 R 0.09 C 0.09 F 0.01 D 0.01 HN Overlap>> 1.T68 1.T68 C Shift Assignments>> C :: 173.930 CA :: 44.830 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.895 HA2 :: 3.967 HA3 :: 4.075 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.907 Ave N Shift Values>> N :: 109.91(4.29) 1.Q44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.25 C 0.24 K 0.21 E 0.15 M 0.08 R 0.03 C Shift Assignments>> C :: 175.582 CA :: 56.056 CB :: 29.539 CG :: 34.164 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 :: 8.086 HA :: 4.379 HB2 :: 2.058 HB3 :: 1.996 HG2 :: 2.376 HG3 :: 2.376 HE21 :: 7.568 HE22 :: 6.849 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 120.093 NE2 :: 112.486 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.A45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.68 M 0.16 L 0.08 C 0.06 C Shift Assignments>> C :: 177.053 CA :: 51.926 CB :: 20.987 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.730 HA :: 4.968 HB1 :: 1.329 HB2 :: 1.329 HB3 :: 1.329 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 127.317 Ave N Shift Values>> N :: 123.23(3.7) 1.Q46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.35 C 0.3 Q 0.18 E 0.1 K 0.04 C Shift Assignments>> C :: 174.518 CA :: 55.165 CB :: 31.891 CG :: 33.922 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 :: 8.524 HA :: 4.672 HB2 :: 2.000 HB3 :: 2.118 HG2 :: 2.369 HG3 :: 2.369 HE21 :: 7.492 HE22 :: 6.840 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 120.239 NE2 :: 111.930 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.A47 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.5 L 0.22 M 0.13 C 0.12 K 0.01 C Shift Assignments>> C :: 177.335 CA :: 51.248 CB :: 22.009 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.880 HA :: 5.831(S) HB1 :: 1.425 HB2 :: 1.425 HB3 :: 1.425 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 127.774 Ave N Shift Values>> N :: 123.23(3.7) 1.T48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.84 C 0.15 C Shift Assignments>> C :: 172.515 CA :: 61.084 CB :: 71.819 CG2 :: 21.872 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 :: 8.908 HA :: 4.749 HB :: 4.276 HG21 :: 1.379 HG22 :: 1.379 HG23 :: 1.379 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 115.805 Ave N Shift Values>> N :: 115.7(5.05) 1.Q49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.48 C 0.41 Q 0.06 E 0.03 HN Overlap>> 1.S86 1.S86 C Shift Assignments>> C :: 174.471 CA :: 54.165 CB :: 33.340 CG :: 33.076 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 :: 8.603 HA :: 5.621 HB2 :: 2.323 HB3 :: 2.261 HG2 :: 2.258 HG3 :: 2.115 HE21 :: 6.836 HE22 :: 6.053 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 :: 119.641 NE2 :: 110.611 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.G50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.08 L 0.07 R 0.02 C Shift Assignments>> C :: 170.023 CA :: 45.620 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.487 HA2 :: 4.245 HA3 :: 3.974 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.977 Ave N Shift Values>> N :: 109.91(4.29) 1.Y51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.4 C 0.35 G 0.24 C Shift Assignments>> C :: 173.431 CA :: 56.031 CB :: 43.659 CD1 :: 133.215 CD2 :: 133.215 CE1 :: 118.272 CE2 :: 118.272 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 :: 8.592 HA :: 5.978 HB2 :: 2.890 HB3 :: 3.232 HD1 :: 6.995 HD2 :: 6.995 HE1 :: 6.799 HE2 :: 6.799 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 :: 116.706 Ave N Shift Values>> N :: 120.79(4.69) 1.L52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.72 G 0.18 L 0.06 A 0.02 C Shift Assignments>> C :: 173.861 CA :: 53.781 CB :: 47.763 CG :: 27.516 CD1 :: 24.441 CD2 :: 27.003 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 :: 9.522 HA :: 4.639 HB2 :: 1.571 HB3 :: 1.571 HG :: 1.679 HD11 :: 0.951 HD12 :: 0.951 HD13 :: 0.951 HD21 :: 0.848 HD22 :: 0.848 HD23 :: 0.848 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 :: 122.915 Ave N Shift Values>> N :: 121.98(4.07) 1.E53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.64 M 0.27 E 0.05 Q 0.01 HN Overlap>> 1.Y177 1.Y177 C Shift Assignments>> C :: 175.710 CA :: 53.461 CB :: 34.026 CG :: 35.459 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.112 HA :: 5.076 HB2 :: 1.574 HB3 :: 1.347 HG2 :: 2.011 HG3 :: 1.810 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 :: 117.384 Ave N Shift Values>> N :: 120.68(3.68) 1.D54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.24 K 0.18 D 0.16 R 0.12 C 0.1 F 0.08 Y 0.06 N 0.02 C Shift Assignments>> CA :: 55.314 CB :: 42.067 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 :: 7.361 HA :: 4.424 HB2 :: 2.447 HB3 :: 2.747 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.046 Ave N Shift Values>> N :: 120.73(4.2) 1.E55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.35 M 0.17 K 0.03 Q 0.03 I 0.02 C Shift Assignments>> CA :: 56.105 CB :: 31.191 CG :: 36.357 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 :: 8.225 HA :: 4.302 HB2 :: 2.036 HB3 :: 1.979 HG2 :: 2.393 HG3 :: 2.239 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 :: 120.774 Ave N Shift Values>> N :: 120.68(3.68) 1.H56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> W 0.35 H 0.33 C 0.3 C Shift Assignments>> C :: 176.136 CA :: 58.066 CB :: 30.268 CD2 :: 119.382 CE1 :: 138.566 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>> HA :: 4.311 HB2 :: 3.152 HB3 :: 3.103 HD2 :: 6.981 HE1 :: 7.719 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) 1.A57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.66 M 0.31 C 0.01 C Shift Assignments>> C :: 177.149 CA :: 53.068 CB :: 17.920 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.645 HA :: 4.149 HB1 :: 1.305 HB2 :: 1.305 HB3 :: 1.305 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.531 Ave N Shift Values>> N :: 123.23(3.7) 1.G58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.74 L 0.1 C 0.08 R 0.04 C Shift Assignments>> C :: 173.481 CA :: 45.196 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.802 HA2 :: 4.309 HA3 :: 3.660 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.999 Ave N Shift Values>> N :: 109.91(4.29) 1.A59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.78 M 0.17 C 0.02 C Shift Assignments>> C :: 177.774 CA :: 52.203 CB :: 19.327 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.426 HA :: 4.241 HB1 :: 1.186 HB2 :: 1.186 HB3 :: 1.186 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 127.619 Ave N Shift Values>> N :: 123.23(3.7) 1.H60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 H 0.31 W 0.08 C Shift Assignments>> C :: 176.945 CA :: 54.366 CB :: 32.475 CD2 :: 116.406 CE1 :: 140.271 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 :: 8.990 HA :: 4.826 HB2 :: 2.850 HB3 :: 3.660 HD2 :: 7.007 HE1 :: 8.128 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 122.558 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.A61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> M 0.55 A 0.34 I 0.03 C 0.03 V 0.01 C Shift Assignments>> C :: 177.913 CA :: 55.436 CB :: 18.639 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.904 HA :: 3.755 HB1 :: 0.932 HB2 :: 0.932 HB3 :: 0.932 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) 1.E62 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> I 0.63 C 0.3 E 0.04 C Shift Assignments>> C :: 178.557 CA :: 60.879 CB :: 27.772 CG :: 38.534 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 :: 11.932(A) HA :: 3.214 HB2 :: 3.143(S) HB3 :: 2.057 HG2 :: 2.481 HG3 :: 1.879 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 :: 117.961 Ave N Shift Values>> N :: 120.68(3.68) 1.E63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.39 C 0.34 E 0.23 K 0.01 M 0.01 C Shift Assignments>> C :: 178.633 CA :: 60.282 CB :: 29.950 CG :: 37.637 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 :: 6.722 HA :: 4.162 HB2 :: 2.201 HB3 :: 2.145 HG2 :: 2.660 HG3 :: 2.099 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 :: 114.449 Ave N Shift Values>> N :: 120.68(3.68) 1.A64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.55 A 0.35 I 0.03 C 0.03 C Shift Assignments>> C :: 180.787 CA :: 55.190 CB :: 18.146 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.492 HA :: 4.076 HB1 :: 1.449 HB2 :: 1.449 HB3 :: 1.449 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.118 Ave N Shift Values>> N :: 123.23(3.7) 1.F65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.38 Y 0.35 C 0.25 C Shift Assignments>> C :: 176.762 CA :: 62.850 CB :: 38.534 CZ :: 128.905 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 :: 8.597 HA :: 3.473 HB2 :: 2.928 HB3 :: 2.448 HD1 :: 5.941 HD2 :: 5.941 HE1 :: 6.590 HE2 :: 6.590 HZ :: 6.986 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 :: 120.372 Ave N Shift Values>> N :: 120.69(4.18) 1.F66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.64 C 0.34 C Shift Assignments>> C :: 175.081 CA :: 61.084 CB :: 39.303 CD1 :: 132.586 CD2 :: 132.586 CE1 :: 131.100 CE2 :: 131.100 CZ :: 128.218 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 :: 7.055 HA :: 4.224 HB2 :: 3.582 HB3 :: 2.763 HD1 :: 7.797 HD2 :: 7.797 HE1 :: 7.486 HE2 :: 7.486 HZ :: 6.977 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 :: 117.572 Ave N Shift Values>> N :: 120.69(4.18) 1.N67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.25 D 0.19 C 0.17 Y 0.14 F 0.12 L 0.05 E 0.02 I 0.01 C Shift Assignments>> C :: 177.306 CA :: 54.677 CB :: 39.014 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 :: 8.258 HA :: 4.668 HB2 :: 2.868 HB3 :: 2.868 HD21 :: 7.638 HD22 :: 7.309 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 :: 115.352 ND2 :: 111.163 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.T68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.93 C 0.06 HN Overlap>> 1.G43 1.G43 C Shift Assignments>> C :: 173.810 CA :: 63.133 CB :: 71.461 CG2 :: 21.908 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.996 HA :: 4.390 HB :: 3.956 HG21 :: 1.116 HG22 :: 1.116 HG23 :: 1.116 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 107.860 Ave N Shift Values>> N :: 115.7(5.05) 1.I69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.9 I 0.05 M 0.03 C Shift Assignments>> C :: 176.044 CA :: 60.699 CB :: 33.997 CG1 :: 27.516 CG2 :: 17.138 CD1 :: 8.499 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 :: 7.224 HA :: 3.902 HB :: 0.881 HG12 :: 0.601 HG13 :: 1.222 HG21 :: 0.154 HG22 :: 0.154 HG23 :: 0.154 HD11 :: 0.535 HD12 :: 0.535 HD13 :: 0.535 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 122.895 Ave N Shift Values>> N :: 121.6(4.72) 1.L70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.61 G 0.21 C 0.15 R 0.02 C Shift Assignments>> C :: 176.054 CA :: 51.627 CB :: 43.403 CG :: 26.411 CD1 :: 25.220 CD2 :: 25.466 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 :: 6.707 HA :: 4.447 HB2 :: 1.232 HB3 :: 0.747 HG :: 1.159 HD11 :: 0.847 HD12 :: 0.847 HD13 :: 0.847 HD21 :: 0.890 HD22 :: 0.890 HD23 :: 0.890 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 :: 117.384 Ave N Shift Values>> N :: 121.98(4.07) 1.P71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.82 C 0.16 C Shift Assignments>> C :: 175.936 CA :: 63.541 CB :: 32.042 CG :: 26.638 CD :: 49.488 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 :: 4.720 HB2 :: 1.851 HB3 :: 1.992 HG2 :: 1.674 HG3 :: 1.674 HD2 :: 3.396 HD3 :: 2.753 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.A72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.59 L 0.16 M 0.12 C 0.1 C Shift Assignments>> C :: 174.746 CA :: 51.090 CB :: 21.750 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 6.835 HA :: 4.298 HB1 :: 1.202 HB2 :: 1.202 HB3 :: 1.202 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.543 Ave N Shift Values>> N :: 123.23(3.7) 1.F73 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 :: 174.810 CA :: 56.599 CB :: 41.157 CD1 :: 131.805 CD2 :: 131.805 CE1 :: 130.686 CE2 :: 130.686 CZ :: 128.730 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 :: 8.483 HA :: 4.341 HB2 :: 2.681 HB3 :: 2.530 HD1 :: 6.310 HD2 :: 6.310 HE1 :: 6.960 HE2 :: 6.960 HZ :: 7.069 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 118.046 Ave N Shift Values>> N :: 120.69(4.18) 1.D74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.25 L 0.24 C 0.13 R 0.1 G 0.06 N 0.06 K 0.06 F 0.02 Y 0.02 C Shift Assignments>> C :: 176.681 CA :: 51.731 CB :: 42.634 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 :: 9.033 HA :: 4.960 HB2 :: 3.104 HB3 :: 2.609 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 :: 128.409 Ave N Shift Values>> N :: 120.73(4.2) 1.P75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.76 C 0.22 C Shift Assignments>> C :: 177.210 CA :: 64.485 CB :: 32.641 CG :: 27.207 CD :: 51.474 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 :: 4.527 HB2 :: 2.068 HB3 :: 2.454 HG2 :: 2.121 HG3 :: 2.090 HD2 :: 4.096 HD3 :: 4.006 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.A76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.73 M 0.21 C 0.03 L 0.01 C Shift Assignments>> C :: 177.724 CA :: 52.755 CB :: 19.604 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.909 HA :: 4.402 HB1 :: 1.438 HB2 :: 1.438 HB3 :: 1.438 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.922 Ave N Shift Values>> N :: 123.23(3.7) 1.L77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 C 0.19 G 0.18 A 0.05 R 0.04 HN Overlap>> 1.I149 1.I149 C Shift Assignments>> C :: 175.956 CA :: 53.340 CB :: 43.729 CG :: 27.039 CD1 :: 23.032 CD2 :: 24.874 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 :: 7.725 HA :: 4.738 HB2 :: 0.943 HB3 :: 1.791 HG :: 1.434 HD11 :: 0.720 HD12 :: 0.720 HD13 :: 0.720 HD21 :: 0.863 HD22 :: 0.863 HD23 :: 0.863 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 :: 119.423 Ave N Shift Values>> N :: 121.98(4.07) 1.K78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.36 C 0.36 R 0.23 M 0.01 G 0.01 C Shift Assignments>> C :: 175.024 CA :: 55.895 CB :: 34.691 CG :: 25.338 CD :: 29.181 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 :: 8.133 HA :: 4.855 HB2 :: 1.699 HB3 :: 1.879 HG2 :: 1.387 HG3 :: 1.486 HD2 :: 1.659 HD3 :: 1.659 HE2 :: 2.966 HE3 :: 2.966 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 :: 119.164 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Y79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.58 C 0.41 C Shift Assignments>> C :: 174.446 CA :: 57.624 CB :: 41.609 CD1 :: 133.599 CD2 :: 133.599 CE1 :: 118.827 CE2 :: 118.827 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 :: 8.690 HA :: 5.068 HB2 :: 2.638 HB3 :: 3.247 HD1 :: 7.014 HD2 :: 7.014 HE1 :: 7.052 HE2 :: 7.052 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 :: 120.883 Ave N Shift Values>> N :: 120.79(4.69) 1.N80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 N 0.29 C 0.12 L 0.1 F 0.06 Y 0.05 K 0.02 C Shift Assignments>> C :: 174.474 CA :: 52.767 CB :: 40.238 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 9.512 HA :: 5.430 HB2 :: 2.873 HB3 :: 2.799 HD21 :: 7.586 HD22 :: 6.662 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 125.067 ND2 :: 113.094 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.V81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 V 0.41 C Shift Assignments>> C :: 174.315 CA :: 61.481 CB :: 34.261 CG1 :: 23.703 CG2 :: 23.318 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 :: 9.236 HA :: 5.133 HB :: 2.022 HG11 :: 0.786 HG12 :: 0.786 HG13 :: 0.786 HG21 :: 1.194 HG22 :: 1.194 HG23 :: 1.194 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 :: 127.964 Ave N Shift Values>> N :: 121.02(4.96) 1.T82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.91 C 0.08 C Shift Assignments>> C :: 173.216 CA :: 61.980 CB :: 71.077 CG2 :: 21.914 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 :: 9.313 HA :: 5.195 HB :: 3.989 HG21 :: 0.798 HG22 :: 0.798 HG23 :: 0.798 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 :: 125.850 Ave N Shift Values>> N :: 115.7(5.05) 1.W83 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Anomalous N Shifts: Suspicious PRTL>> C 0.95 W 0.04 C Shift Assignments>> C :: 174.099 CA :: 52.648 CB :: 34.126 CD1 :: 121.009 CE3 :: 120.283 CZ2 :: 114.205 CZ3 :: 121.170 CH2 :: 124.166 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 9.403 HA :: 5.738 HB2 :: 2.916 HB3 :: 3.248 HD1 :: 6.492 HE1 :: 5.121(A) HE3 :: 7.147 HZ2 :: 6.460 HZ3 :: 6.808 HH2 :: 7.021 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 126.075 NE1 :: 117.933(S) Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) SRO Rule Breaks>> (HE1 > HA : 1.0000) (HE1 > HD1 : 0.9930) (HE1 > HZ3 : 0.9924) 1.Y84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.56 C 0.43 C Shift Assignments>> C :: 175.964 CA :: 56.620 CB :: 38.931 CD1 :: 132.918 CD2 :: 132.918 CE1 :: 118.152 CE2 :: 118.152 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 :: 9.582 HA :: 5.329 HB2 :: 2.750 HB3 :: 2.861 HD1 :: 6.840 HD2 :: 6.840 HE1 :: 6.566 HE2 :: 6.566 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 :: 121.256 Ave N Shift Values>> N :: 120.79(4.69) 1.V85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.79 V 0.18 A 0.01 C Shift Assignments>> C :: 175.913 CA :: 58.308 CB :: 35.621 CG1 :: 21.798 CG2 :: 23.358 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 :: 9.425 HA :: 5.735 HB :: 2.104 HG11 :: 0.935 HG12 :: 0.935 HG13 :: 0.935 HG21 :: 1.068 HG22 :: 1.068 HG23 :: 1.068 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 :: 117.834 Ave N Shift Values>> N :: 121.02(4.96) 1.S86 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.Q49 1.Q49 C Shift Assignments>> C :: 174.390 CA :: 61.229 CB :: 61.869 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.675 HA :: 3.560 HB2 :: 4.004 HB3 :: 2.485(S) 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 :: 119.641 Ave N Shift Values>> N :: 116.3(3.95) 1.S87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 56.625 CB :: 65.178 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 6.810 HA :: 5.203 HB2 :: 3.596 HB3 :: 3.596 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 111.270 Ave N Shift Values>> N :: 116.3(3.95) 1.S88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.T100 1.T100 C Shift Assignments>> CA :: 58.735 CB :: 61.799 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.603 HA :: 4.305 HB2 :: 4.249 HB3 :: 3.910 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 :: 116.625 Ave N Shift Values>> N :: 116.3(3.95) 1.P89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.86 C 0.12 C Shift Assignments>> C :: 177.027 CA :: 64.207 CB :: 32.927 CG :: 27.524 CD :: 50.323 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 :: 4.810 HB2 :: 2.403 HB3 :: 1.962 HG2 :: 2.118 HG3 :: 1.800 HD2 :: 3.813 HD3 :: 3.370 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.C90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.14 W 0.14 Q 0.13 H 0.13 R 0.12 K 0.11 C 0.11 M 0.04 I 0.03 V 0.01 C Shift Assignments>> C :: 174.607 CA :: 57.442 CB :: 29.598 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.471 HA :: 4.760 HB2 :: 3.732 HB3 :: 3.204 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 :: 118.513 Ave N Shift Values>> N :: 119.95(4.79) 1.A91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.65 A 0.21 I 0.08 C 0.03 V 0.01 HN Overlap>> 1.R139 1.R139 C Shift Assignments>> C :: 179.678 CA :: 56.072 CB :: 17.918 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.898 HA :: 3.953 HB1 :: 1.399 HB2 :: 1.399 HB3 :: 1.399 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.010 Ave N Shift Values>> N :: 123.23(3.7) 1.A92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.56 A 0.31 C 0.04 I 0.04 V 0.02 C Shift Assignments>> C :: 181.797 CA :: 55.659 CB :: 18.932 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.277 HA :: 4.287 HB1 :: 1.519 HB2 :: 1.519 HB3 :: 1.519 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.238 Ave N Shift Values>> N :: 123.23(3.7) 1.C93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.39 V 0.32 P 0.19 C 0.06 W 0.01 C Shift Assignments>> C :: 178.270 CA :: 66.138 CB :: 29.694 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 9.131 HA :: 4.035 HB2 :: 2.752 HB3 :: 3.179 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 :: 124.690 Ave N Shift Values>> N :: 119.95(4.79) 1.A94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.6 A 0.26 I 0.06 C 0.04 V 0.01 C Shift Assignments>> C :: 179.113 CA :: 55.872 CB :: 18.503 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.002 HA :: 3.986 HB1 :: 1.474 HB2 :: 1.474 HB3 :: 1.474 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.084 Ave N Shift Values>> N :: 123.23(3.7) 1.D95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.22 F 0.16 L 0.13 C 0.13 Y 0.12 R 0.12 D 0.04 I 0.03 C Shift Assignments>> C :: 177.553 CA :: 58.063 CB :: 41.865 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 :: 7.883 HA :: 4.435 HB2 :: 2.816 HB3 :: 2.758 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 :: 118.256 Ave N Shift Values>> N :: 120.73(4.2) 1.R96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.4 C 0.36 K 0.14 L 0.05 G 0.02 HN Overlap>> 1.E179 1.E179 C Shift Assignments>> C :: 179.949 CA :: 58.641 CB :: 28.925 CG :: 27.516 CD :: 42.523 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 :: 7.581 HA :: 4.049 HB2 :: 2.031 HB3 :: 2.172 HG2 :: 1.417 HG3 :: 1.807 HD2 :: 3.192 HD3 :: 3.250 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 :: 119.710 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.I97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.92 C 0.07 HN Overlap>> 1.E158 1.E158 C Shift Assignments>> C :: 177.136 CA :: 66.208 CB :: 38.662 CG1 :: 29.267 CG2 :: 19.209 CD1 :: 15.026 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 :: 8.728 HA :: 3.194 HB :: 1.914 HG12 :: 2.204 HG13 :: 1.078 HG21 :: 0.663 HG22 :: 0.663 HG23 :: 0.663 HD11 :: 0.963 HD12 :: 0.963 HD13 :: 0.963 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 :: 121.918 Ave N Shift Values>> N :: 121.6(4.72) 1.L98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.49 C 0.38 R 0.1 G 0.01 HN Overlap>> 1.S114 1.S114 1.F164 1.F164 C Shift Assignments>> C :: 179.553 CA :: 58.905 CB :: 41.929 CG :: 27.175 CD1 :: 25.314 CD2 :: 25.558 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 :: 8.556 HA :: 3.743 HB2 :: 1.845 HB3 :: 1.781 HG :: 1.649 HD11 :: 0.845 HD12 :: 0.845 HD13 :: 0.845 HD21 :: 0.866 HD22 :: 0.866 HD23 :: 0.866 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 :: 121.222 Ave N Shift Values>> N :: 121.98(4.07) 1.K99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 K 0.34 R 0.25 G 0.01 C Shift Assignments>> C :: 179.530 CA :: 59.802 CB :: 32.566 CG :: 26.283 CD :: 29.053 CE :: 42.183 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 :: 8.381 HA :: 3.885 HB2 :: 1.844 HB3 :: 1.791 HG2 :: 1.394 HG3 :: 1.563 HD2 :: 1.603 HD3 :: 1.546 HE2 :: 2.933 HE3 :: 2.933 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 :: 120.044 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.T100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> 1.S88 1.S88 C Shift Assignments>> C :: 176.723 CA :: 67.489 CB :: 68.330 CG2 :: 20.777 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 :: 7.643 HA :: 3.684 HB :: 3.731 HG21 :: 0.704 HG22 :: 0.704 HG23 :: 0.704 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 116.706 Ave N Shift Values>> N :: 115.7(5.05) 1.L101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 L 0.37 R 0.1 HN Overlap>> 1.E157 1.E157 C Shift Assignments>> C :: 179.164 CA :: 58.130 CB :: 41.481 CG :: 26.747 CD1 :: 22.519 CD2 :: 26.576 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 :: 8.710 HA :: 3.868 HB2 :: 1.711 HB3 :: 1.525 HG :: 1.704 HD11 :: 0.703 HD12 :: 0.703 HD13 :: 0.703 HD21 :: 0.702 HD22 :: 0.702 HD23 :: 0.702 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 :: 122.307 Ave N Shift Values>> N :: 121.98(4.07) 1.S102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.077 CA :: 61.305 CB :: 63.257 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.107 HA :: 4.179 HB2 :: 3.953 HB3 :: 3.932 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 111.740 Ave N Shift Values>> N :: 116.3(3.95) 1.K103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.38 R 0.16 M 0.03 G 0.01 C Shift Assignments>> C :: 176.204 CA :: 56.087 CB :: 34.072 CG :: 24.470 CD :: 29.306 CE :: 42.314 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 :: 7.038 HA :: 4.529 HB2 :: 1.878 HB3 :: 1.878 HG2 :: 1.563 HG3 :: 1.476 HD2 :: 1.659 HD3 :: 1.659 HE2 :: 2.977 HE3 :: 2.977 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 116.481 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.T104 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> T 0.86 C 0.12 S 0.01 C Shift Assignments>> C :: 173.921 CA :: 60.955 CB :: 68.258 CG2 :: 21.853 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 :: 7.411 HA :: 4.326 HB :: 3.697 HG21 :: 0.206(S) HG22 :: 0.206(S) HG23 :: 0.206(S) 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 :: 118.444 Ave N Shift Values>> N :: 115.7(5.05) 1.K105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.35 C 0.33 R 0.27 M 0.02 G 0.01 C Shift Assignments>> C :: 176.881 CA :: 57.624 CB :: 31.896 CG :: 24.953 CD :: 28.764 CE :: 42.282 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 :: 8.637 HA :: 4.314 HB2 :: 1.813 HB3 :: 1.962 HG2 :: 1.515 HG3 :: 1.478 HD2 :: 1.690 HD3 :: 1.690 HE2 :: 3.031 HE3 :: 3.031 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 :: 123.507 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.N106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 N 0.27 M 0.12 E 0.08 K 0.04 Y 0.04 Q 0.02 F 0.01 D 0.01 C Shift Assignments>> C :: 172.394 CA :: 52.632 CB :: 35.909 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 9.166 HA :: 4.822 HB2 :: 2.952 HB3 :: 3.650 HD21 :: 8.445 HD22 :: 5.976 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 :: 114.655 ND2 :: 113.605 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.L107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.28 G 0.27 C 0.25 R 0.17 C Shift Assignments>> C :: 174.101 CA :: 54.165 CB :: 44.211 CG :: 27.789 CD1 :: 24.460 CD2 :: 26.935 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 :: 7.218 HA :: 5.254 HB2 :: 1.641 HB3 :: 0.822 HG :: 1.184 HD11 :: 0.935 HD12 :: 0.935 HD13 :: 0.935 HD21 :: 0.653 HD22 :: 0.653 HD23 :: 0.653 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 :: 121.497 Ave N Shift Values>> N :: 121.98(4.07) 1.R108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.4 C 0.36 K 0.11 G 0.11 C Shift Assignments>> C :: 173.526 CA :: 54.437 CB :: 32.249 CG :: 27.085 CD :: 43.520 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 :: 8.591 HA :: 4.723 HB2 :: 1.958 HB3 :: 1.903 HG2 :: 1.709 HG3 :: 1.626 HD2 :: 3.264 HD3 :: 3.189 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 :: 127.167 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.L109 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.38 G 0.3 A 0.22 L 0.08 C Shift Assignments>> C :: 172.976 CA :: 53.622 CB :: 46.943 CG :: 27.260 CD1 :: 27.107 CD2 :: 22.263 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 :: 9.051 HA :: 5.078 HB2 :: 1.661 HB3 :: 0.640 HG :: 0.818 HD11 :: 0.118 HD12 :: 0.118 HD13 :: 0.118 HD21 :: -0.361(S) HD22 :: -0.361(S) HD23 :: -0.361(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 :: 126.849 Ave N Shift Values>> N :: 121.98(4.07) 1.L110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.33 G 0.31 C 0.21 R 0.12 A 0.02 C Shift Assignments>> C :: 173.420 CA :: 53.583 CB :: 44.419 CG :: 28.002 CD1 :: 26.338 CD2 :: 23.672 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 :: 8.281 HA :: 4.945 HB2 :: 1.759 HB3 :: 1.359 HG :: 1.276 HD11 :: 0.770 HD12 :: 0.770 HD13 :: 0.770 HD21 :: 0.671 HD22 :: 0.671 HD23 :: 0.671 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 :: 131.020 Ave N Shift Values>> N :: 121.98(4.07) 1.I111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.71 C 0.28 C Shift Assignments>> C :: 173.008 CA :: 61.212 CB :: 39.778 CG1 :: 26.491 CG2 :: 18.291 CD1 :: 14.138 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 :: 8.988 HA :: 4.478 HB :: 1.703 HG12 :: 1.123 HG13 :: 0.538 HG21 :: 0.834 HG22 :: 0.834 HG23 :: 0.834 HD11 :: 0.587 HD12 :: 0.587 HD13 :: 0.587 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 :: 124.991 Ave N Shift Values>> N :: 121.6(4.72) 1.L112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.37 C 0.28 L 0.24 G 0.05 K 0.04 C Shift Assignments>> C :: 176.450 CA :: 53.704 CB :: 42.819 CG :: 28.768 CD1 :: 26.671 CD2 :: 25.722 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 :: 9.211 HA :: 5.173 HB2 :: 1.024 HB3 :: 1.599 HG :: 1.183 HD11 :: 0.644 HD12 :: 0.644 HD13 :: 0.644 HD21 :: 0.311 HD22 :: 0.311 HD23 :: 0.311 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 :: 128.757 Ave N Shift Values>> N :: 121.98(4.07) 1.V113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.66 V 0.32 C Shift Assignments>> C :: 176.450 CA :: 59.087 CB :: 34.991 CG1 :: 21.238 CG2 :: 23.160 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 :: 8.695 HA :: 4.871 HB :: 1.864 HG11 :: 0.696 HG12 :: 0.696 HG13 :: 0.696 HG21 :: 0.635 HG22 :: 0.635 HG23 :: 0.635 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 :: 117.478 Ave N Shift Values>> N :: 121.02(4.96) 1.S114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.L98 1.F164 1.L98 1.F164 C Shift Assignments>> CA :: 60.779 CB :: 62.675 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.558 HA :: 4.776 HB2 :: 4.567 HB3 :: 4.383 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 :: 121.229 Ave N Shift Values>> N :: 116.3(3.95) 1.R115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 G 0.24 R 0.18 K 0.07 C Shift Assignments>> CA :: 53.750 CB :: 33.988 CG :: 26.675 CD :: 43.791 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 :: 6.580 HA :: 3.562 HB2 :: 1.658 HB3 :: 1.477 HG2 :: 1.784 HG3 :: 1.463 HD2 :: 3.417 HD3 :: 3.160 HE :: 7.296 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 :: 108.660 NE :: 81.940 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.L116 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> L 0.54 G 0.2 C 0.18 R 0.04 A 0.01 C Shift Assignments>> CA :: 53.514 CB :: 43.940 CG :: 26.869 CD1 :: 25.479 CD2 :: 23.993 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 :: 5.107(A) HA :: 4.559 HB2 :: 1.640 HB3 :: 1.543 HG :: 1.511 HD11 :: 0.834 HD12 :: 0.834 HD13 :: 0.834 HD21 :: 0.817 HD22 :: 0.817 HD23 :: 0.817 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 :: 118.809 Ave N Shift Values>> N :: 121.98(4.07) 1.F117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> F 0.6 C 0.38 G 0.01 C Shift Assignments>> C :: 174.006 CA :: 56.889 CB :: 41.926 CD1 :: 131.937 CD2 :: 131.937 CE1 :: 131.761 CE2 :: 131.761 CZ :: 130.409 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 :: 8.477 HA :: 4.819 HB2 :: 3.125 HB3 :: 2.982 HD1 :: 7.174 HD2 :: 7.174 HE1 :: 7.348 HE2 :: 7.348 HZ :: 7.348 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) 1.M118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 M 0.42 A 0.07 C Shift Assignments>> C :: 175.526 CA :: 56.684 CB :: 30.124 CG :: 32.128 CE :: 17.010 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 :: 8.853 HA :: 3.711 HB2 :: 2.023 HB3 :: 1.492 HG2 :: 1.570 HG3 :: 1.198 HE1 :: 1.961 HE2 :: 1.961 HE3 :: 1.961 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 :: 122.487 Ave N Shift Values>> N :: 120.1(3.88) 1.W119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.53 C 0.43 H 0.03 C Shift Assignments>> C :: 175.621 CA :: 58.664 CB :: 29.112 CD1 :: 126.878 CE3 :: 120.650 CZ2 :: 115.220 CZ3 :: 122.488 CH2 :: 124.888 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 :: 6.584 HA :: 3.996 HB2 :: 2.789 HB3 :: 3.515 HD1 :: 7.446 HE1 :: 10.594 HE3 :: 7.351 HZ2 :: 7.613 HZ3 :: 7.197 HH2 :: 7.290 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 :: 112.177 NE1 :: 130.270 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.E120 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> E 0.31 C 0.31 K 0.14 Q 0.1 I 0.06 M 0.04 C Shift Assignments>> C :: 177.221 CA :: 57.311 CB :: 29.345 CG :: 35.772 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 :: 8.174 HA :: 3.683 HB2 :: 1.325 HB3 :: 1.484 HG2 :: 0.859(S) HG3 :: 1.450(S) 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 :: 118.388 Ave N Shift Values>> N :: 120.68(3.68) 1.E121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 E 0.31 K 0.1 M 0.07 Q 0.05 I 0.01 C Shift Assignments>> C :: 176.038 CA :: 53.637 CB :: 29.566 CG :: 36.235 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 :: 7.724 HA :: 4.551 HB2 :: 2.087 HB3 :: 2.286 HG2 :: 2.333 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 :: 121.866 Ave N Shift Values>> N :: 120.68(3.68) 1.P122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.65 C 0.34 C Shift Assignments>> C :: 179.326 CA :: 66.034 CB :: 32.354 CG :: 27.772 CD :: 51.346 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 :: 4.130 HB2 :: 2.024 HB3 :: 2.413 HG2 :: 2.049 HG3 :: 2.225 HD2 :: 3.941 HD3 :: 4.149 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.E123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.3 I 0.28 K 0.04 M 0.01 C Shift Assignments>> C :: 179.673 CA :: 59.802 CB :: 29.438 CG :: 36.765 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 :: 9.534 HA :: 4.169 HB2 :: 2.115 HB3 :: 2.035 HG2 :: 2.331 HG3 :: 2.331 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 :: 117.316 Ave N Shift Values>> N :: 120.68(3.68) 1.V124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.94 C 0.05 C Shift Assignments>> C :: 177.709 CA :: 66.465 CB :: 31.902 CG1 :: 21.494 CG2 :: 23.655 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 :: 7.221 HA :: 3.677 HB :: 2.484 HG11 :: 1.001 HG12 :: 1.001 HG13 :: 1.001 HG21 :: 1.114 HG22 :: 1.114 HG23 :: 1.114 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 121.988 Ave N Shift Values>> N :: 121.02(4.96) 1.Q125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 K 0.16 Q 0.15 P 0.1 R 0.1 I 0.05 E 0.04 C Shift Assignments>> C :: 178.320 CA :: 60.374 CB :: 27.441 CG :: 33.552 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 :: 8.028 HA :: 3.810 HB2 :: 2.134 HB3 :: 2.203 HG2 :: 2.832 HG3 :: 2.416 HE21 :: 8.302 HE22 :: 6.923 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 :: 118.422 NE2 :: 110.140 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.A126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.52 A 0.39 I 0.03 C 0.03 C Shift Assignments>> C :: 180.034 CA :: 55.062 CB :: 18.364 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.220 HA :: 4.068 HB1 :: 1.476 HB2 :: 1.476 HB3 :: 1.476 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 117.945 Ave N Shift Values>> N :: 123.23(3.7) 1.A127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.55 A 0.34 I 0.04 C 0.03 C Shift Assignments>> C :: 180.128 CA :: 55.318 CB :: 18.359 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.567 HA :: 4.065 HB1 :: 1.577 HB2 :: 1.577 HB3 :: 1.577 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.009 Ave N Shift Values>> N :: 123.23(3.7) 1.L128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 L 0.45 R 0.06 A 0.01 HN Overlap>> 1.S191 1.S191 C Shift Assignments>> C :: 179.040 CA :: 58.454 CB :: 41.409 CG :: 26.823 CD1 :: 25.722 CD2 :: 21.643 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 :: 8.428 HA :: 4.017 HB2 :: 1.213 HB3 :: 2.047 HG :: 2.145 HD11 :: 0.925 HD12 :: 0.925 HD13 :: 0.925 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 :: 117.731 Ave N Shift Values>> N :: 121.98(4.07) 1.K129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 R 0.3 K 0.27 G 0.02 C Shift Assignments>> C :: 179.370 CA :: 60.559 CB :: 32.769 CG :: 26.289 CD :: 29.827 CE :: 42.321 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 :: 7.865 HA :: 3.869 HB2 :: 1.969 HB3 :: 1.893 HG2 :: 1.640 HG3 :: 1.512 HD2 :: 1.762 HD3 :: 1.762 HE2 :: 3.014 HE3 :: 3.014 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 :: 118.479 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 K 0.32 R 0.27 G 0.01 HN Overlap>> 1.R8 1.R8 C Shift Assignments>> C :: 179.974 CA :: 59.930 CB :: 32.769 CG :: 26.235 CD :: 29.459 CE :: 42.250 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 :: 8.132 HA :: 4.010 HB2 :: 1.862 HB3 :: 1.970 HG2 :: 1.500 HG3 :: 1.709 HD2 :: 1.674 HD3 :: 1.611 HE2 :: 2.902 HE3 :: 2.902 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 :: 118.966 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.38 R 0.03 C Shift Assignments>> C :: 178.260 CA :: 58.454 CB :: 41.270 CG :: 26.776 CD1 :: 25.338 CD2 :: 23.416 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 :: 8.121 HA :: 3.922 HB2 :: 2.243 HB3 :: 1.276 HG :: 1.921 HD11 :: 0.856 HD12 :: 0.856 HD13 :: 0.856 HD21 :: 0.876 HD22 :: 0.876 HD23 :: 0.876 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 :: 119.867 Ave N Shift Values>> N :: 121.98(4.07) 1.K132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 K 0.32 R 0.22 M 0.04 G 0.02 C Shift Assignments>> C :: 181.329 CA :: 59.213 CB :: 32.246 CG :: 24.809 CD :: 30.325 CE :: 42.517 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 :: 7.694 HA :: 4.375 HB2 :: 1.993 HB3 :: 2.138 HG2 :: 1.459 HG3 :: 1.645 HD2 :: 1.869 HD3 :: 1.726 HE2 :: 3.062 HE3 :: 3.062 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 :: 120.847 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.34 C 0.34 I 0.2 K 0.06 M 0.02 Q 0.01 C Shift Assignments>> C :: 177.407 CA :: 59.038 CB :: 29.438 CG :: 36.593 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 :: 8.367 HA :: 4.053 HB2 :: 2.135 HB3 :: 2.135 HG2 :: 2.471 HG3 :: 2.342 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 :: 121.335 Ave N Shift Values>> N :: 120.68(3.68) 1.A134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.77 M 0.17 C 0.02 L 0.01 C Shift Assignments>> C :: 177.287 CA :: 52.234 CB :: 19.655 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.677 HA :: 4.375 HB1 :: 1.461 HB2 :: 1.461 HB3 :: 1.461 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.537 Ave N Shift Values>> N :: 123.23(3.7) 1.G135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.7 L 0.11 C 0.08 R 0.05 C Shift Assignments>> C :: 174.989 CA :: 45.085 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.832 HA2 :: 3.715 HA3 :: 4.359 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 104.976 Ave N Shift Values>> N :: 109.91(4.29) 1.C136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.16 R 0.13 C 0.13 W 0.12 K 0.11 Q 0.09 E 0.08 H 0.07 L 0.03 C Shift Assignments>> C :: 174.031 CA :: 59.253 CB :: 28.004 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.052 HA :: 4.405 HB2 :: 2.281 HB3 :: 2.543 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 :: 122.839 Ave N Shift Values>> N :: 119.95(4.79) 1.K137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.37 C 0.35 R 0.23 M 0.01 G 0.01 C Shift Assignments>> C :: 174.227 CA :: 55.885 CB :: 33.974 CG :: 25.338 CD :: 29.181 CE :: 42.395 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 :: 8.237 HA :: 4.521 HB2 :: 1.700 HB3 :: 1.813 HG2 :: 1.489 HG3 :: 1.388 HD2 :: 1.656 HD3 :: 1.656 HE2 :: 2.975 HE3 :: 2.975 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 :: 129.688 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.53 C 0.29 L 0.14 R 0.02 C Shift Assignments>> C :: 175.625 CA :: 54.083 CB :: 45.837 CG :: 27.772 CD1 :: 26.868 CD2 :: 26.037 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 :: 8.126 HA :: 5.412 HB2 :: 1.337 HB3 :: 1.549 HG :: 1.595 HD11 :: 0.878 HD12 :: 0.878 HD13 :: 0.878 HD21 :: 0.793 HD22 :: 0.793 HD23 :: 0.793 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 :: 125.957 Ave N Shift Values>> N :: 121.98(4.07) 1.R139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 G 0.28 R 0.08 K 0.06 HN Overlap>> 1.A91 1.A91 C Shift Assignments>> C :: 173.964 CA :: 54.677 CB :: 34.935 CG :: 27.496 CD :: 44.056 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 :: 8.837 HA :: 4.649 HB2 :: 1.637 HB3 :: 1.905 HG2 :: 1.601 HG3 :: 1.456 HD2 :: 3.221 HD3 :: 3.189 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 :: 121.005 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.I140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.84 I 0.07 A 0.06 C Shift Assignments>> C :: 176.879 CA :: 57.798 CB :: 35.667 CG1 :: 25.789 CG2 :: 19.296 CD1 :: 9.706 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 :: 8.813 HA :: 4.617 HB :: 2.293 HG12 :: 1.920 HG13 :: 1.074 HG21 :: 1.648 HG22 :: 1.648 HG23 :: 1.648 HD11 :: 0.557 HD12 :: 0.557 HD13 :: 0.557 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 :: 121.480 Ave N Shift Values>> N :: 121.6(4.72) 1.M141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.76 M 0.2 A 0.01 I 0.01 C Shift Assignments>> CA :: 58.111 CB :: 35.734 CG :: 34.530 CE :: 16.551 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 :: 8.867 HA :: 4.113 HB2 :: 1.722 HB3 :: 1.548 HG2 :: 2.175 HG3 :: 2.175 HE1 :: 1.275 HE2 :: 1.275 HE3 :: 1.275 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 125.737 Ave N Shift Values>> N :: 120.1(3.88) 1.K142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.44 C 0.31 R 0.17 M 0.04 G 0.01 C Shift Assignments>> CA :: 54.081 CB :: 32.297 CG :: 24.911 CD :: 29.665 CE :: 42.099 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 :: 9.390 HA :: 4.094 HB2 :: 1.522 HB3 :: 1.298 HG2 :: 1.346 HG3 :: 0.674 HD2 :: 1.523 HD3 :: 1.523 HE2 :: 2.954 HE3 :: 2.954 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 :: 123.059 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.P143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.69 P 0.29 G 0.01 C Shift Assignments>> C :: 177.973 CA :: 67.957 CB :: 31.542 CG :: 28.884 CD :: 49.896 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 :: 4.365 HB2 :: 2.393 HB3 :: 2.051 HG2 :: 2.571 HG3 :: 1.849 HD2 :: 3.709 HD3 :: 3.444 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.Q144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 K 0.21 Q 0.21 E 0.13 I 0.05 R 0.05 M 0.01 C Shift Assignments>> C :: 178.632 CA :: 59.257 CB :: 28.489 CG :: 34.178 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 :: 8.786 HA :: 4.171 HB2 :: 2.035 HB3 :: 2.013 HG2 :: 2.402 HG3 :: 2.402 HE21 :: 7.691 HE22 :: 6.865 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 :: 113.924 NE2 :: 112.821 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.D145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.21 F 0.17 L 0.14 Y 0.13 C 0.13 R 0.07 D 0.07 I 0.03 HN Overlap>> 1.L175 1.L175 C Shift Assignments>> C :: 177.959 CA :: 57.624 CB :: 41.473 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 :: 8.087 HA :: 4.700 HB2 :: 2.525 HB3 :: 2.817 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.598 Ave N Shift Values>> N :: 120.73(4.2) 1.F146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.51 C 0.48 C Shift Assignments>> C :: 177.291 CA :: 63.092 CB :: 39.694 CD1 :: 131.908 CD2 :: 131.908 CE1 :: 132.937 CE2 :: 132.937 CZ :: 131.225 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 :: 7.468 HA :: 3.929 HB2 :: 2.851 HB3 :: 3.079 HD1 :: 7.383 HD2 :: 7.383 HE1 :: 7.794 HE2 :: 7.794 HZ :: 8.134 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 :: 117.470 Ave N Shift Values>> N :: 120.69(4.18) 1.E147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.31 I 0.27 K 0.05 M 0.01 Q 0.01 C Shift Assignments>> C :: 177.223 CA :: 59.672 CB :: 29.309 CG :: 36.662 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 :: 7.539 HA :: 3.069 HB2 :: 2.084 HB3 :: 1.797 HG2 :: 2.145 HG3 :: 2.145 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 :: 119.275 Ave N Shift Values>> N :: 120.68(3.68) 1.Y148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.68 C 0.31 C Shift Assignments>> C :: 178.916 CA :: 62.237 CB :: 38.278 CD1 :: 133.059 CD2 :: 133.059 CE1 :: 118.694 CE2 :: 118.694 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 :: 7.591 HA :: 4.034 HB2 :: 3.176 HB3 :: 3.253 HD1 :: 6.733 HD2 :: 6.733 HE1 :: 6.626 HE2 :: 6.626 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 :: 120.216 Ave N Shift Values>> N :: 120.79(4.69) 1.I149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.81 C 0.18 HN Overlap>> 1.L77 1.L77 C Shift Assignments>> C :: 178.029 CA :: 63.440 CB :: 36.947 CG1 :: 27.260 CG2 :: 18.335 CD1 :: 12.269 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 :: 7.745 HA :: 3.616 HB :: 1.931 HG12 :: 0.962 HG13 :: 1.176 HG21 :: 0.395 HG22 :: 0.395 HG23 :: 0.395 HD11 :: 0.130 HD12 :: 0.130 HD13 :: 0.130 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 :: 119.396 Ave N Shift Values>> N :: 121.6(4.72) 1.W150 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.55 C 0.41 H 0.02 C Shift Assignments>> C :: 176.802 CA :: 60.243 CB :: 29.099 CD1 :: 127.465 CE3 :: 120.615 CZ2 :: 115.536 CZ3 :: 120.659 CH2 :: 124.446 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 :: 8.263 HA :: 3.413 HB2 :: 3.284 HB3 :: 2.766 HD1 :: 7.104 HE1 :: 10.089 HE3 :: 6.810 HZ2 :: 7.267 HZ3 :: 7.037 HH2 :: 7.274 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 :: 121.960 NE1 :: 130.849 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.Q151 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 Q 0.22 K 0.2 E 0.18 M 0.06 R 0.02 I 0.02 C Shift Assignments>> C :: 178.026 CA :: 58.330 CB :: 29.470 CG :: 34.267 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 :: 8.128 HA :: 3.784 HB2 :: 1.858 HB3 :: 1.993 HG2 :: 2.595 HG3 :: 2.444 HE21 :: 7.471 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 :: 112.643 NE2 :: 111.179 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.N152 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.22 L 0.19 K 0.14 C 0.11 F 0.11 Y 0.09 N 0.06 R 0.03 C Shift Assignments>> C :: 174.687 CA :: 55.164 CB :: 41.116 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 :: 7.580 HA :: 4.441 HB2 :: 1.724 HB3 :: 1.724 HD21 :: 6.922 HD22 :: 6.035 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 :: 112.492 ND2 :: 117.766 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.F153 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.64 C 0.34 C Shift Assignments>> C :: 174.260 CA :: 58.393 CB :: 41.806 CD1 :: 131.549 CD2 :: 131.549 CE1 :: 131.508 CE2 :: 131.508 CZ :: 129.594 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 :: 8.644 HA :: 4.556 HB2 :: 3.127 HB3 :: 2.795 HD1 :: 7.029 HD2 :: 7.029 HE1 :: 7.187 HE2 :: 7.187 HZ :: 7.198 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 :: 114.223 Ave N Shift Values>> N :: 120.69(4.18) 1.V154 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.63 C 0.35 C Shift Assignments>> C :: 175.442 CA :: 62.108 CB :: 31.744 CG1 :: 21.238 CG2 :: 23.928 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 :: 6.539 HA :: 4.381 HB :: 1.588 HG11 :: 0.225 HG12 :: 0.225 HG13 :: 0.225 HG21 :: 0.254 HG22 :: 0.254 HG23 :: 0.254 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 :: 119.416 Ave N Shift Values>> N :: 121.02(4.96) 1.E155 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.33 C 0.33 M 0.16 Q 0.07 K 0.07 I 0.02 C Shift Assignments>> C :: 174.510 CA :: 55.960 CB :: 30.719 CG :: 35.927 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 :: 8.473 HA :: 3.989 HB2 :: 1.568 HB3 :: 1.766 HG2 :: 2.047 HG3 :: 2.001 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 :: 130.252 Ave N Shift Values>> N :: 120.68(3.68) 1.Q156 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.26 C 0.24 K 0.2 E 0.13 M 0.12 R 0.02 C Shift Assignments>> C :: 175.810 CA :: 55.318 CB :: 29.843 CG :: 34.071 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 :: 8.290 HA :: 4.147 HB2 :: 1.712 HB3 :: 2.068 HG2 :: 1.982 HG3 :: 1.859 HE21 :: 7.033 HE22 :: 6.413 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 125.224 NE2 :: 111.997 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.E157 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.37 M 0.11 I 0.05 K 0.04 Q 0.02 HN Overlap>> 1.L101 1.L101 C Shift Assignments>> C :: 176.620 CA :: 56.669 CB :: 30.591 CG :: 36.662 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 :: 8.768 HA :: 4.210 HB2 :: 1.874 HB3 :: 2.057 HG2 :: 2.324 HG3 :: 2.269 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 122.337 Ave N Shift Values>> N :: 120.68(3.68) 1.E158 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.35 C 0.34 I 0.1 K 0.1 Q 0.04 M 0.04 HN Overlap>> 1.I97 1.I97 C Shift Assignments>> C :: 177.214 CA :: 57.880 CB :: 29.552 CG :: 36.226 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.661 HA :: 4.041 HB2 :: 2.023 HB3 :: 2.023 HG2 :: 2.271 HG3 :: 2.240 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 :: 121.891 Ave N Shift Values>> N :: 120.68(3.68) 1.G159 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 L 0.08 C 0.08 R 0.02 C Shift Assignments>> C :: 174.174 CA :: 45.472 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.567 HA2 :: 3.728 HA3 :: 4.150 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.063 Ave N Shift Values>> N :: 109.91(4.29) 1.E160 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.35 M 0.19 K 0.03 Q 0.03 I 0.02 C Shift Assignments>> C :: 175.921 CA :: 55.873 CB :: 31.277 CG :: 36.356 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 :: 7.912 HA :: 4.410 HB2 :: 1.978 HB3 :: 2.088 HG2 :: 2.289 HG3 :: 2.165 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 :: 120.093 Ave N Shift Values>> N :: 120.68(3.68) 1.S161 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.649 CA :: 57.907 CB :: 63.262 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.613 HA :: 4.390 HB2 :: 3.806 HB3 :: 3.806 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 :: 117.663 Ave N Shift Values>> N :: 116.3(3.95) 1.K162 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.36 C 0.36 R 0.23 M 0.01 G 0.01 C Shift Assignments>> C :: 177.047 CA :: 55.959 CB :: 34.326 CG :: 25.281 CD :: 29.181 CE :: 42.395 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 :: 8.924 HA :: 4.533 HB2 :: 1.934 HB3 :: 2.078 HG2 :: 1.638 HG3 :: 1.563 HD2 :: 1.760 HD3 :: 1.760 HE2 :: 3.031 HE3 :: 3.031 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 124.879 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.A163 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 L 0.01 C Shift Assignments>> C :: 176.632 CA :: 51.833 CB :: 19.695 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.443 HA :: 4.413 HB1 :: 1.360 HB2 :: 1.360 HB3 :: 1.360 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.572 Ave N Shift Values>> N :: 123.23(3.7) 1.F164 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> F 0.57 C 0.42 HN Overlap>> 1.S114 1.L98 1.S114 1.L98 C Shift Assignments>> CA :: 57.032 CB :: 39.383 CD1 :: 131.170 CD2 :: 131.170 CE1 :: 130.952 CE2 :: 130.952 CZ :: 129.178 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 :: 8.610 HA :: 2.616(A) HB2 :: 2.474 HB3 :: 2.446 HD1 :: 6.622 HD2 :: 6.622 HE1 :: 7.050 HE2 :: 7.050 HZ :: 6.201 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 :: 121.222 Ave N Shift Values>> N :: 120.69(4.18) 1.E165 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 M 0.18 E 0.17 K 0.05 Q 0.05 C Shift Assignments>> CA :: 51.670 CB :: 30.443 CG :: 35.935 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 :: 7.051 HA :: 4.289 HB2 :: 1.563 HB3 :: 1.451 HG2 :: 1.976 HG3 :: 1.817 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 :: 129.918 Ave N Shift Values>> N :: 120.68(3.68) 1.P166 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.74 C 0.25 C Shift Assignments>> CA :: 62.356 CB :: 32.094 CG :: 26.667 CD :: 50.556 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 :: 2.997(S) HB2 :: 1.766 HB3 :: 1.650 HG2 :: 1.751 HG3 :: 1.707 HD2 :: 3.421 HD3 :: 2.988 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.W167 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> C 0.86 H 0.08 W 0.05 C Shift Assignments>> CA :: 60.228 CB :: 28.721 CD1 :: 128.126 CE3 :: 118.493 CZ2 :: 117.469 CH2 :: 124.857 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 :: 5.599(A) HA :: 4.673 HB2 :: 3.444 HB3 :: 3.291 HD1 :: 7.463 HE1 :: 10.522 HE3 :: 7.108 HZ2 :: 6.498 HZ3 :: 7.405 HH2 :: 6.601 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 :: 117.842 NE1 :: 131.497 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.E168 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> E 0.34 C 0.33 I 0.17 K 0.07 M 0.03 Q 0.03 C Shift Assignments>> CA :: 59.353 CB :: 29.741 CG :: 36.232 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 :: 9.195 HA :: 4.045 HB2 :: 2.068 HB3 :: 2.068 HG2 :: 2.353 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) 1.D169 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.745 HA :: 5.052 HB2 :: 3.153 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.I170 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> I 0.92 C 0.07 C Shift Assignments>> CA :: 65.775 CB :: 38.480 CG1 :: 28.699 CG2 :: 15.984 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 :: 7.304 HA :: 4.306 HB :: 1.285 HG12 :: 1.777 HG13 :: 1.253 HG21 :: 0.965 HG22 :: 0.965 HG23 :: 0.965 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) 1.Q171 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 K 0.26 Q 0.21 R 0.13 E 0.05 M 0.03 I 0.01 C Shift Assignments>> CA :: 58.620 CB :: 28.333 CG :: 33.046 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 :: 8.395 HA :: 4.521 HB2 :: 2.240 HB3 :: 2.103 HG2 :: 2.594 HG3 :: 2.403 HE21 :: 7.354 HE22 :: 6.756 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 :: 123.400 NE2 :: 108.606 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.E172 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> I 0.55 C 0.29 E 0.13 K 0.01 C Shift Assignments>> CA :: 61.085 CB :: 28.864 CG :: 37.620 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 :: 9.001 HA :: 3.955 HB2 :: 2.076 HB3 :: 1.990 HG2 :: 2.573 HG3 :: 2.315 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) 1.N173 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.24 Y 0.19 N 0.15 F 0.13 E 0.09 D 0.07 I 0.03 M 0.02 L 0.02 C Shift Assignments>> CA :: 55.706 CB :: 38.037 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 :: 8.762 HA :: 4.611 HB2 :: 3.384 HB3 :: 2.926 HD21 :: 7.509 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) 1.F174 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.63 F 0.36 C Shift Assignments>> C :: 176.377 CA :: 60.795 CB :: 37.794 CD1 :: 133.412 CD2 :: 133.412 CE1 :: 131.293 CE2 :: 131.293 CZ :: 130.409 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 :: 8.125 HA :: 5.005 HB2 :: 3.545 HB3 :: 3.940 HD1 :: 7.458 HD2 :: 7.458 HE1 :: 7.340 HE2 :: 7.340 HZ :: 7.324 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) 1.L175 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 C 0.34 R 0.08 HN Overlap>> 1.D145 1.D145 C Shift Assignments>> C :: 180.027 CA :: 57.769 CB :: 41.865 CG :: 26.723 CD1 :: 25.978 CD2 :: 23.227 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 :: 8.128 HA :: 3.415 HB2 :: 1.398 HB3 :: 1.880 HG :: 1.859 HD11 :: 0.972 HD12 :: 0.972 HD13 :: 0.972 HD21 :: 0.844 HD22 :: 0.844 HD23 :: 0.844 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 :: 120.544 Ave N Shift Values>> N :: 121.98(4.07) 1.Y176 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.64 C 0.35 C Shift Assignments>> C :: 177.637 CA :: 61.132 CB :: 38.278 CD1 :: 133.343 CD2 :: 133.343 CE1 :: 117.959 CE2 :: 117.959 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 :: 7.907 HA :: 4.081 HB2 :: 3.084 HB3 :: 3.084 HD1 :: 6.296 HD2 :: 6.296 HE1 :: 6.498 HE2 :: 6.498 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 :: 120.407 Ave N Shift Values>> N :: 120.79(4.69) 1.Y177 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.66 C 0.33 HN Overlap>> 1.E53 1.E53 C Shift Assignments>> C :: 177.518 CA :: 62.588 CB :: 38.317 CD1 :: 133.481 CD2 :: 133.481 CE1 :: 118.750 CE2 :: 118.750 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 :: 8.053 HA :: 3.916 HB2 :: 2.958 HB3 :: 3.172 HD1 :: 7.216 HD2 :: 7.216 HE1 :: 7.121 HE2 :: 7.121 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 :: 117.344 Ave N Shift Values>> N :: 120.79(4.69) 1.E178 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.31 I 0.25 K 0.05 Q 0.02 M 0.02 C Shift Assignments>> C :: 179.188 CA :: 60.059 CB :: 29.566 CG :: 36.282 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 :: 9.327 HA :: 3.887 HB2 :: 1.721 HB3 :: 1.643 HG2 :: 2.124 HG3 :: 2.030 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 :: 123.250 Ave N Shift Values>> N :: 120.68(3.68) 1.E179 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.34 C 0.33 I 0.18 K 0.08 Q 0.03 M 0.02 HN Overlap>> 1.R96 1.R96 C Shift Assignments>> C :: 178.528 CA :: 59.175 CB :: 29.458 CG :: 36.228 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 :: 7.623 HA :: 3.957 HB2 :: 1.921 HB3 :: 1.997 HG2 :: 2.278 HG3 :: 2.028 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 :: 119.641 Ave N Shift Values>> N :: 120.68(3.68) 1.K180 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.42 R 0.4 K 0.12 L 0.01 C Shift Assignments>> C :: 179.202 CA :: 57.368 CB :: 30.788 CG :: 22.789 CD :: 26.578 CE :: 41.926 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 :: 7.161 HA :: 3.786 HB2 :: 1.319 HB3 :: 0.925 HG2 :: 0.635 HG3 :: 0.008(S) HD2 :: 0.675(S) HD3 :: 0.531(S) HE2 :: 2.185(S) HE3 :: 1.862(S) Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 116.481 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L181 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 C 0.39 R 0.03 C Shift Assignments>> C :: 177.743 CA :: 57.752 CB :: 41.140 CG :: 26.664 CD1 :: 25.449 CD2 :: 22.875 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 :: 8.511 HA :: 3.963 HB2 :: 1.405 HB3 :: 2.017 HG :: 1.718 HD11 :: 0.849 HD12 :: 0.849 HD13 :: 0.849 HD21 :: 0.891 HD22 :: 0.891 HD23 :: 0.891 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 :: 118.964 Ave N Shift Values>> N :: 121.98(4.07) 1.A182 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.57 A 0.34 I 0.04 C 0.02 C Shift Assignments>> C :: 180.625 CA :: 55.190 CB :: 17.924 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.002 HA :: 4.020 HB1 :: 1.454 HB2 :: 1.454 HB3 :: 1.454 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.335 Ave N Shift Values>> N :: 123.23(3.7) 1.D183 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.18 F 0.18 Y 0.15 L 0.14 C 0.13 D 0.09 R 0.04 I 0.03 N 0.01 C Shift Assignments>> C :: 178.793 CA :: 57.256 CB :: 41.140 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 :: 7.758 HA :: 4.400 HB2 :: 2.682 HB3 :: 2.789 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 :: 117.269 Ave N Shift Values>> N :: 120.73(4.2) 1.I184 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.9 C 0.09 C Shift Assignments>> C :: 177.790 CA :: 65.002 CB :: 39.075 CG1 :: 29.550 CG2 :: 18.163 CD1 :: 14.970 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 :: 7.785 HA :: 3.794 HB :: 2.024 HG12 :: 2.074 HG13 :: 1.071 HG21 :: 1.017 HG22 :: 1.017 HG23 :: 1.017 HD11 :: 1.072 HD12 :: 1.072 HD13 :: 1.072 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 :: 119.587 Ave N Shift Values>> N :: 121.6(4.72) 1.L185 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 C 0.34 A 0.04 R 0.03 C Shift Assignments>> C :: 177.599 CA :: 55.797 CB :: 41.268 CG :: 26.363 CD1 :: 26.065 CD2 :: 22.391 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 :: 8.167 HA :: 4.214 HB2 :: 1.536 HB3 :: 1.871 HG :: 1.923 HD11 :: 0.941 HD12 :: 0.941 HD13 :: 0.941 HD21 :: 0.761 HD22 :: 0.761 HD23 :: 0.761 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 115.663 Ave N Shift Values>> N :: 121.98(4.07) 1.K186 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.37 C 0.36 R 0.19 M 0.05 G 0.01 C Shift Assignments>> C :: 176.536 CA :: 57.240 CB :: 32.384 CG :: 24.483 CD :: 29.566 CE :: 42.357 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 :: 7.567 HA :: 4.276 HB2 :: 1.914 HB3 :: 2.011 HG2 :: 1.458 HG3 :: 1.557 HD2 :: 1.715 HD3 :: 1.715 HE2 :: 3.012 HE3 :: 3.012 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 :: 118.990 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.S187 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.636 CA :: 58.617 CB :: 64.415 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.113 HA :: 4.512 HB2 :: 3.946 HB3 :: 3.946 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 :: 116.330 Ave N Shift Values>> N :: 116.3(3.95) 1.G188 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.59 L 0.16 R 0.1 C 0.09 F 0.01 D 0.01 C Shift Assignments>> CA :: 44.788 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.324 HA2 :: 4.210 HA3 :: 4.103 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.533 Ave N Shift Values>> N :: 109.91(4.29) 1.P189 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 :: 177.436 CA :: 63.358 CB :: 32.356 CG :: 27.314 CD :: 49.910 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 :: 4.501 HB2 :: 1.997 HB3 :: 2.311 HG2 :: 2.031 HG3 :: 2.031 HD2 :: 3.641 HD3 :: 3.641 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.S190 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.642 CA :: 58.481 CB :: 63.850 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.590 HA :: 4.507 HB2 :: 3.930 HB3 :: 3.930 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 :: 116.531 Ave N Shift Values>> N :: 116.3(3.95) 1.S191 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.L128 1.L128 C Shift Assignments>> C :: 173.935 CA :: 58.430 CB :: 64.073 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.339 HA :: 4.512 HB2 :: 3.902 HB3 :: 3.902 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 :: 117.712 Ave N Shift Values>> N :: 116.3(3.95) 1.G192 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.12 L 0.05 C Shift Assignments>> C :: 179.006 CA :: 46.342 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.065 HA2 :: 3.792 HA3 :: 3.792 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 116.903 Ave N Shift Values>> N :: 109.91(4.29) 2.ZN1 Overall Status: Residue type ZN not supported. ########################################################################### Overall Results: #Consistent: 177 #Clerical: 0 #Suspicious: 10 #Anomalous: 5 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 187 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 5 Shift Relative Order (SRO) Results: #Consistent: 191 #Suspicious: 1 C Shift Results: #Consistent: 837 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent:1326 #Duplicate: 0 #Unknown: 0 #Suspicious: 26 #Anomalous: 5 N Shift Results: #Consistent: 182 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 Error Summary: 1.R19 HG3 = 0.610(S), Expected = 1.58, Std = 0.2700, ChiSquare = 3.2740e-04 1.R19 HD3 = 2.280(S), Expected = 3.13, Std = 0.2200, ChiSquare = 1.1171e-04 1.L32 HD11 = -0.619(S), Expected = 0.77, Std = 0.2700, ChiSquare = 2.6831e-07 1.L32 HD12 = -0.619(S), Expected = 0.77, Std = 0.2700, ChiSquare = 2.6831e-07 1.L32 HD13 = -0.619(S), Expected = 0.77, Std = 0.2700, ChiSquare = 2.6831e-07 1.L32 HD21 = -0.166(S), Expected = 0.76, Std = 0.2800, ChiSquare = 9.4253e-04 1.L32 HD22 = -0.166(S), Expected = 0.76, Std = 0.2800, ChiSquare = 9.4253e-04 1.L32 HD23 = -0.166(S), Expected = 0.76, Std = 0.2800, ChiSquare = 9.4253e-04 1.C33 HB3 = 1.360(S), Expected = 2.98, Std = 0.4500, ChiSquare = 3.1822e-04 1.A47 HA = 5.831(S), Expected = 4.26, Std = 0.4200, ChiSquare = 1.8367e-04 1.E62 H = 11.932(A), Expected = 8.34, Std = 0.6100, ChiSquare = 3.8966e-09 1.E62 HB2 = 3.143(S), Expected = 2.04, Std = 0.2200, ChiSquare = 5.3411e-07 1.W83 HE1 = 5.121(A), Expected = 10.13, Std = 0.5300, ChiSquare = 3.3579e-21 1.W83 NE1 = 117.933(S), Expected = 129.48, Std = 2.5600, ChiSquare = 6.4661e-06 1.W83 SRO Rule Break>> HE1 > HA : 1 1.W83 SRO Rule Break>> HE1 > HD1 : 0.993006993006993 1.W83 SRO Rule Break>> HE1 > HZ3 : 0.992378048780488 1.S86 HB3 = 2.485(S), Expected = 3.87, Std = 0.3100, ChiSquare = 7.9050e-06 1.T104 HG21 = 0.206(S), Expected = 1.16, Std = 0.2800, ChiSquare = 6.5647e-04 1.T104 HG22 = 0.206(S), Expected = 1.16, Std = 0.2800, ChiSquare = 6.5647e-04 1.T104 HG23 = 0.206(S), Expected = 1.16, Std = 0.2800, ChiSquare = 6.5647e-04 1.L109 HD21 = -0.361(S), Expected = 0.76, Std = 0.2800, ChiSquare = 6.2393e-05 1.L109 HD22 = -0.361(S), Expected = 0.76, Std = 0.2800, ChiSquare = 6.2393e-05 1.L109 HD23 = -0.361(S), Expected = 0.76, Std = 0.2800, ChiSquare = 6.2393e-05 1.L116 H = 5.107(A), Expected = 8.22, Std = 0.6500, ChiSquare = 1.6742e-06 1.E120 HG2 = 0.859(S), Expected = 2.31, Std = 0.2100, ChiSquare = 4.8628e-12 1.E120 HG3 = 1.450(S), Expected = 2.31, Std = 0.2100, ChiSquare = 4.2173e-05 1.F164 HA = 2.616(A), Expected = 4.62, Std = 0.5800, ChiSquare = 5.4994e-04 1.P166 HA = 2.997(S), Expected = 4.41, Std = 0.3600, ChiSquare = 8.6730e-05 1.W167 H = 5.599(A), Expected = 8.35, Std = 0.8400, ChiSquare = 1.0566e-03 1.K180 HG3 = 0.008(S), Expected = 1.37, Std = 0.2900, ChiSquare = 2.6459e-06 1.K180 HD2 = 0.675(S), Expected = 1.61, Std = 0.2500, ChiSquare = 1.8402e-04 1.K180 HD3 = 0.531(S), Expected = 1.61, Std = 0.2500, ChiSquare = 1.5888e-05 1.K180 HE2 = 2.185(S), Expected = 2.93, Std = 0.2000, ChiSquare = 1.9532e-04 1.K180 HE3 = 1.862(S), Expected = 2.93, Std = 0.2000, ChiSquare = 9.2947e-08