Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S6 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.79 L 0.08 C 0.07 R 0.02 C Shift Assignments>> C :: 174.105 CA :: 45.417 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> HA2 :: 3.960 HA3 :: 3.960 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) 1.D8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.26 L 0.19 K 0.12 C 0.11 N 0.09 F 0.08 Y 0.07 R 0.03 C Shift Assignments>> C :: 176.163 CA :: 54.454 CB :: 41.143 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 :: 8.190 HA :: 4.558 HB2 :: 2.678 HB3 :: 2.589 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 :: 120.774 Ave N Shift Values>> N :: 120.73(4.2) 1.A9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.76 M 0.2 C 0.02 C Shift Assignments>> C :: 177.374 CA :: 52.503 CB :: 19.239 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.177 HA :: 4.267 HB1 :: 1.372 HB2 :: 1.372 HB3 :: 1.372 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.928 Ave N Shift Values>> N :: 123.23(3.7) 1.A10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.79 M 0.17 C 0.02 C Shift Assignments>> C :: 177.568 CA :: 52.157 CB :: 19.140 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.200 HA :: 4.304 HB1 :: 1.344 HB2 :: 1.344 HB3 :: 1.344 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.120 Ave N Shift Values>> N :: 123.23(3.7) 1.V11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.69 C 0.3 HN Overlap>> 1.Q182 1.Q182 1.I46 1.I46 C Shift Assignments>> C :: 176.624 CA :: 61.856 CB :: 33.243 CG1 :: 21.527 CG2 :: 20.595 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 :: 8.015 HA :: 4.264 HB :: 2.076 HG11 :: 0.941 HG12 :: 0.941 HG13 :: 0.941 HG21 :: 0.933 HG22 :: 0.933 HG23 :: 0.933 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 :: 119.612 Ave N Shift Values>> N :: 121.02(4.96) 1.T12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.84 C 0.14 C Shift Assignments>> C :: 173.596 CA :: 60.212 CB :: 68.843 CG2 :: 21.977 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 :: 8.467 HA :: 4.654 HB :: 4.645 HG21 :: 1.334 HG22 :: 1.334 HG23 :: 1.334 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 117.689 Ave N Shift Values>> N :: 115.7(5.05) 1.P13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.84 C 0.15 C Shift Assignments>> C :: 179.360 CA :: 65.637 CB :: 31.726 CG :: 27.992 CD :: 50.451 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 :: 4.185 HB2 :: 2.354 HB3 :: 1.934 HG2 :: 2.006 HG3 :: 2.197 HD2 :: 3.900 HD3 :: 3.900 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.E14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 I 0.32 E 0.28 K 0.02 M 0.01 C Shift Assignments>> C :: 178.053 CA :: 59.965 CB :: 29.883 CG :: 37.210 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.559 HA :: 4.038 HB2 :: 2.068 HB3 :: 1.796 HG2 :: 2.096 HG3 :: 2.096 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 :: 118.957 Ave N Shift Values>> N :: 120.68(3.68) 1.E15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.33 I 0.23 K 0.03 M 0.02 HN Overlap>> 1.F34 1.F34 C Shift Assignments>> C :: 179.651 CA :: 59.061 CB :: 29.898 CG :: 37.198 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 :: 7.793 HA :: 3.913 HB2 :: 1.989 HB3 :: 2.242 HG2 :: 2.315 HG3 :: 2.234 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 :: 119.699 Ave N Shift Values>> N :: 120.68(3.68) 1.R16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.45 C 0.36 K 0.09 G 0.07 C Shift Assignments>> C :: 178.634 CA :: 59.293 CB :: 30.129 CG :: 27.778 CD :: 43.290 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 :: 8.376 HA :: 3.989 HB2 :: 1.864 HB3 :: 1.864 HG2 :: 1.581 HG3 :: 1.701 HD2 :: 3.232 HD3 :: 3.156 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 :: 120.756 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.H17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 H 0.34 W 0.2 C Shift Assignments>> C :: 177.350 CA :: 60.130 CB :: 30.708 CD2 :: 117.390 CE1 :: 137.591 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 :: 8.210 HA :: 4.242 HB2 :: 3.104 HB3 :: 3.104 HD2 :: 6.400 HE1 :: 7.430 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 :: 120.134 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.L18 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 G 0.01 C Shift Assignments>> C :: 178.028 CA :: 58.276 CB :: 42.246 CG :: 27.006 CD1 :: 25.008 CD2 :: 23.379 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 :: 8.427 HA :: 3.569 HB2 :: 1.844 HB3 :: 1.304 HG :: 1.663 HD11 :: 0.730 HD12 :: 0.730 HD13 :: 0.730 HD21 :: 0.698 HD22 :: 0.698 HD23 :: 0.698 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 :: 118.713 Ave N Shift Values>> N :: 121.98(4.07) 1.S19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.205 CA :: 61.783 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 :: 8.107 HA :: 4.315 HB2 :: 3.941 HB3 :: 3.941 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 :: 112.280 Ave N Shift Values>> N :: 116.3(3.95) 1.K20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.41 C 0.37 R 0.18 M 0.01 G 0.01 HN Overlap>> 1.K32 1.K32 C Shift Assignments>> C :: 179.918 CA :: 59.965 CB :: 31.937 CG :: 25.115 CD :: 29.225 CE :: 42.047 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 :: 7.719 HA :: 4.161 HB2 :: 1.975 HB3 :: 1.937 HG2 :: 1.492 HG3 :: 1.640 HD2 :: 1.724 HD3 :: 1.724 HE2 :: 2.979 HE3 :: 2.979 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 :: 121.959 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.M21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 M 0.39 A 0.08 HN Overlap>> 1.R138 1.R138 C Shift Assignments>> C :: 177.520 CA :: 57.109 CB :: 34.006 CG :: 33.687 CE :: 19.093 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 :: 8.132 HA :: 4.094 HB2 :: 1.604 HB3 :: 2.138 HG2 :: 1.932 HG3 :: 2.264 HE1 :: 1.853 HE2 :: 1.853 HE3 :: 1.853 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 118.389 Ave N Shift Values>> N :: 120.1(3.88) 1.Q22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 M 0.28 E 0.18 Q 0.16 K 0.05 C Shift Assignments>> C :: 178.513 CA :: 56.595 CB :: 31.691 CG :: 34.485 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 :: 4.877 HB2 :: 2.213 HB3 :: 1.804 HG2 :: 2.332 HG3 :: 2.164 HE21 :: 8.240 HE22 :: 6.176 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 116.090 NE2 :: 114.396 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.Q23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 Q 0.23 K 0.2 E 0.17 M 0.07 R 0.02 I 0.02 HN Overlap>> 1.K126 1.K126 C Shift Assignments>> C :: 176.720 CA :: 58.140 CB :: 29.636 CG :: 34.157 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 :: 8.198 HA :: 4.200 HB2 :: 2.079 HB3 :: 2.079 HG2 :: 2.394 HG3 :: 2.534 HE21 :: 7.425 HE22 :: 6.820 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 117.158 NE2 :: 111.687 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.N24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.26 D 0.22 R 0.12 K 0.12 C 0.1 F 0.04 N 0.04 Y 0.03 G 0.01 C Shift Assignments>> C :: 176.042 CA :: 53.698 CB :: 42.351 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 :: 8.277 HA :: 5.028 HB2 :: 2.983 HB3 :: 2.808 HD21 :: 7.040 HD22 :: 7.621 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 113.541 ND2 :: 112.747 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.G25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.72 C 0.2 L 0.03 A 0.01 C Shift Assignments>> C :: 172.191 CA :: 47.151 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.851 HA2 :: 4.259 HA3 :: 3.980 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.989 Ave N Shift Values>> N :: 109.91(4.29) 1.Y26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.62 C 0.37 C Shift Assignments>> C :: 173.136 CA :: 57.995 CB :: 41.351 CD1 :: 132.852 CD2 :: 132.852 CE1 :: 118.675 CE2 :: 118.675 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 :: 8.039 HA :: 4.684 HB2 :: 2.674 HB3 :: 2.454 HD1 :: 7.019 HD2 :: 7.019 HE1 :: 6.896 HE2 :: 6.896 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 :: 120.798 Ave N Shift Values>> N :: 120.79(4.69) 1.E27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 E 0.37 M 0.11 K 0.05 I 0.02 Q 0.02 C Shift Assignments>> C :: 174.492 CA :: 54.869 CB :: 30.376 CG :: 36.705 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 :: 8.274 HA :: 4.639 HB2 :: 2.046 HB3 :: 1.948 HG2 :: 2.265 HG3 :: 2.573 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 :: 128.342 Ave N Shift Values>> N :: 120.68(3.68) 1.N28 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> N 0.5 D 0.22 C 0.15 L 0.03 F 0.03 Y 0.03 C Shift Assignments>> C :: 175.388 CA :: 50.825 CB :: 39.499 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 :: 7.081 HA :: 4.487 HB2 :: 2.627 HB3 :: 3.397 HD21 :: 6.236 HD22 :: 9.307(S) Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 122.253 ND2 :: 115.349 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.P29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.65 C 0.33 C Shift Assignments>> C :: 178.149 CA :: 64.276 CB :: 32.184 CG :: 27.357 CD :: 52.012 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 :: 4.092 HB2 :: 2.235 HB3 :: 2.235 HG2 :: 2.055 HG3 :: 2.109 HD2 :: 4.195 HD3 :: 4.195 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.T30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.94 C 0.05 C Shift Assignments>> C :: 174.904 CA :: 64.157 CB :: 68.567 CG2 :: 22.650 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 :: 8.004 HA :: 4.094 HB :: 4.349 HG21 :: 1.286 HG22 :: 1.286 HG23 :: 1.286 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 :: 114.217 Ave N Shift Values>> N :: 115.7(5.05) 1.Y31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.57 C 0.42 C Shift Assignments>> C :: 176.793 CA :: 59.801 CB :: 38.595 CD1 :: 133.754 CD2 :: 133.754 CE1 :: 117.772 CE2 :: 117.772 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 :: 6.808 HA :: 4.429 HB2 :: 3.283 HB3 :: 3.066 HD1 :: 7.344 HD2 :: 7.344 HE1 :: 6.946 HE2 :: 6.946 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 :: 122.455 Ave N Shift Values>> N :: 120.79(4.69) 1.K32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.39 R 0.16 M 0.03 HN Overlap>> 1.K20 1.K20 C Shift Assignments>> CA :: 58.120 CB :: 32.807 CG :: 24.527 CD :: 29.177 CE :: 42.001 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 :: 7.741 HA :: 3.828 HB2 :: 1.572 HB3 :: 1.494 HG2 :: 1.016 HG3 :: 1.188 HD2 :: 1.524 HD3 :: 1.524 HE2 :: 2.853 HE3 :: 2.853 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 :: 121.964 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.F33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> F 0.57 C 0.42 C Shift Assignments>> C :: 176.430 CA :: 58.819 CB :: 38.805 CD1 :: 131.606 CD2 :: 131.606 CE1 :: 131.327 CE2 :: 131.327 CZ :: 129.720 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 :: 7.254 HA :: 4.413 HB2 :: 3.114 HB3 :: 2.940 HD1 :: 6.944 HD2 :: 6.944 HE1 :: 7.217 HE2 :: 7.217 HZ :: 7.223 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.F34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.44 Y 0.3 C 0.24 HN Overlap>> 1.E15 1.E15 C Shift Assignments>> C :: 177.084 CA :: 60.458 CB :: 39.358 CD1 :: 132.092 CD2 :: 132.092 CE1 :: 131.215 CE2 :: 131.215 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 :: 7.781 HA :: 4.235 HB2 :: 3.003 HB3 :: 3.003 HD1 :: 7.283 HD2 :: 7.283 HE1 :: 7.287 HE2 :: 7.287 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 :: 119.615 Ave N Shift Values>> N :: 120.69(4.18) 1.E35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.34 I 0.09 K 0.08 M 0.06 Q 0.03 C Shift Assignments>> C :: 177.229 CA :: 57.868 CB :: 29.994 CG :: 36.314 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 :: 8.185 HA :: 3.999 HB2 :: 1.954 HB3 :: 1.806 HG2 :: 2.024 HG3 :: 2.024 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 :: 121.508 Ave N Shift Values>> N :: 120.68(3.68) 1.Q36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.25 C 0.25 K 0.24 E 0.12 R 0.06 M 0.04 I 0.01 C Shift Assignments>> C :: 176.890 CA :: 56.795 CB :: 28.896 CG :: 33.857 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.926 HA :: 4.168 HB2 :: 2.074 HB3 :: 2.000 HG2 :: 2.355 HG3 :: 2.355 HE21 :: 6.828 HE22 :: 7.515 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 :: 118.737 NE2 :: 112.161 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.M37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.47 C 0.44 A 0.08 HN Overlap>> 1.L99 1.L99 C Shift Assignments>> C :: 176.842 CA :: 56.473 CB :: 32.595 CG :: 32.024 CE :: 17.114 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 :: 8.008 HA :: 4.297 HB2 :: 2.008 HB3 :: 1.950 HG2 :: 2.394 HG3 :: 2.481 HE1 :: 1.981 HE2 :: 1.981 HE3 :: 1.981 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 119.794 Ave N Shift Values>> N :: 120.1(3.88) 1.Q38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.26 K 0.25 C 0.24 E 0.1 R 0.06 M 0.06 C Shift Assignments>> C :: 176.067 CA :: 56.349 CB :: 29.027 CG :: 33.664 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 :: 8.177 HA :: 4.211 HB2 :: 1.964 HB3 :: 2.059 HG2 :: 2.296 HG3 :: 2.296 HE21 :: 7.427 HE22 :: 6.831 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 :: 119.911 NE2 :: 112.537 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.N39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.39 D 0.21 C 0.15 Y 0.09 F 0.07 L 0.04 E 0.01 C Shift Assignments>> C :: 175.195 CA :: 53.472 CB :: 39.006 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 :: 8.297 HA :: 4.727 HB2 :: 2.846 HB3 :: 2.744 HD21 :: 6.906 HD22 :: 7.609 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 118.748 ND2 :: 113.244 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.S40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 58.321 CB :: 63.859 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.253 HA :: 4.489 HB2 :: 3.891 HB3 :: 3.891 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 :: 115.800 Ave N Shift Values>> N :: 116.3(3.95) 1.G41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.58 L 0.16 R 0.1 C 0.09 F 0.01 D 0.01 C Shift Assignments>> CA :: 44.773 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.242 HA2 :: 4.124 HA3 :: 4.124 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.527 Ave N Shift Values>> N :: 109.91(4.29) 1.P42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.81 C 0.17 C Shift Assignments>> C :: 177.544 CA :: 63.335 CB :: 32.102 CD :: 49.827 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 :: 4.448 HB2 :: 1.959 HB3 :: 2.279 HG2 :: 1.996 HG3 :: 1.996 HD2 :: 3.619 HD3 :: 3.619 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.S43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.E97 1.E97 C Shift Assignments>> C :: 174.831 CA :: 58.239 CB :: 64.075 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.500 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 :: 116.113 Ave N Shift Values>> N :: 116.3(3.95) 1.S44 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> HA :: 4.443 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.G45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 L 0.08 C 0.07 R 0.02 C Shift Assignments>> C :: 174.298 CA :: 45.417 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.403 HA2 :: 3.979 HA3 :: 3.979 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.617 Ave N Shift Values>> N :: 109.91(4.29) 1.I46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.71 C 0.28 HN Overlap>> 1.Q182 1.V11 1.Q182 1.V11 C Shift Assignments>> C :: 176.502 CA :: 61.445 CB :: 38.755 CG1 :: 27.281 CG2 :: 17.554 CD1 :: 13.115 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 :: 7.980 HA :: 4.146 HB :: 1.841 HG12 :: 1.395 HG13 :: 1.135 HG21 :: 0.876 HG22 :: 0.876 HG23 :: 0.876 HD11 :: 0.835 HD12 :: 0.835 HD13 :: 0.835 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 :: 119.589 Ave N Shift Values>> N :: 121.6(4.72) 1.E47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.34 K 0.09 M 0.08 I 0.06 Q 0.05 C Shift Assignments>> C :: 177.084 CA :: 57.054 CB :: 30.000 CG :: 36.211 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 :: 8.603 HA :: 4.241 HB2 :: 1.952 HB3 :: 2.034 HG2 :: 2.262 HG3 :: 2.262 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 :: 124.524 Ave N Shift Values>> N :: 120.68(3.68) 1.G48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 L 0.08 C 0.07 R 0.02 HN Overlap>> 1.G50 1.G50 C Shift Assignments>> C :: 174.347 CA :: 45.417 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.405 HA2 :: 3.954 HA3 :: 3.954 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.903 Ave N Shift Values>> N :: 109.91(4.29) 1.R49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.43 C 0.36 K 0.11 G 0.07 C Shift Assignments>> C :: 177.035 CA :: 56.393 CB :: 30.707 CG :: 27.206 CD :: 43.362 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 :: 8.192 HA :: 4.320 HB2 :: 1.758 HB3 :: 1.879 HG2 :: 1.631 HG3 :: 1.584 HD2 :: 3.154 HD3 :: 3.154 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 :: 120.437 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.G50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 L 0.08 C 0.07 R 0.03 HN Overlap>> 1.G48 1.G48 C Shift Assignments>> C :: 174.250 CA :: 45.335 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.497 HA2 :: 3.964 HA3 :: 3.964 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.932 Ave N Shift Values>> N :: 109.91(4.29) 1.S51 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S52 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G53 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S54 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S55 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G56 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S57 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S58 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G59 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S60 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S61 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> HA :: 4.517 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.G62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.45 L 0.2 R 0.16 C 0.1 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> CA :: 44.499 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.200 HA2 :: 4.077 HA3 :: 4.077 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.667 Ave N Shift Values>> N :: 109.91(4.29) 1.P63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.8 C 0.19 C Shift Assignments>> C :: 177.060 CA :: 63.081 CB :: 32.184 CG :: 27.170 CD :: 49.773 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 :: 4.464 HB2 :: 1.887 HB3 :: 2.230 HG2 :: 1.999 HG3 :: 1.999 HD2 :: 3.594 HD3 :: 3.594 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.T64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.86 C 0.13 C Shift Assignments>> C :: 172.894 CA :: 59.944 CB :: 69.746 CG2 :: 21.577 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 :: 8.330 HA :: 4.545 HB :: 4.106 HG21 :: 1.233 HG22 :: 1.233 HG23 :: 1.233 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 117.620 Ave N Shift Values>> N :: 115.7(5.05) 1.P65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.8 C 0.19 C Shift Assignments>> C :: 176.866 CA :: 63.192 CB :: 32.184 CG :: 27.491 CD :: 51.163 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 :: 4.387 HB2 :: 1.861 HB3 :: 2.280 HG2 :: 2.017 HG3 :: 1.955 HD2 :: 3.664 HD3 :: 3.843 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.K66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.37 R 0.17 M 0.03 G 0.01 C Shift Assignments>> C :: 176.914 CA :: 56.393 CB :: 33.088 CG :: 24.764 CD :: 29.072 CE :: 42.212 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 :: 8.478 HA :: 4.322 HB2 :: 1.829 HB3 :: 1.756 HG2 :: 1.457 HG3 :: 1.410 HD2 :: 1.658 HD3 :: 1.658 HE2 :: 2.960 HE3 :: 2.960 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 :: 122.205 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.T67 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.F139 1.F139 C Shift Assignments>> C :: 174.395 CA :: 61.938 CB :: 69.660 CG2 :: 21.557 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 :: 8.201 HA :: 4.286 HB :: 4.169 HG21 :: 1.175 HG22 :: 1.175 HG23 :: 1.175 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 :: 115.603 Ave N Shift Values>> N :: 115.7(5.05) 1.E68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.35 M 0.1 K 0.08 Q 0.04 I 0.04 C Shift Assignments>> C :: 175.945 CA :: 56.267 CB :: 30.211 CG :: 36.314 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 :: 8.499 HA :: 4.301 HB2 :: 1.884 HB3 :: 2.047 HG2 :: 2.235 HG3 :: 2.235 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 :: 123.291 Ave N Shift Values>> N :: 120.68(3.68) 1.L69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.61 C 0.27 R 0.06 G 0.03 A 0.01 C Shift Assignments>> C :: 176.527 CA :: 55.059 CB :: 42.534 CG :: 27.006 CD1 :: 24.738 CD2 :: 23.789 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 :: 8.099 HA :: 4.331 HB2 :: 1.573 HB3 :: 1.531 HG :: 1.519 HD11 :: 0.865 HD12 :: 0.865 HD13 :: 0.865 HD21 :: 0.811 HD22 :: 0.811 HD23 :: 0.811 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 :: 123.364 Ave N Shift Values>> N :: 121.98(4.07) 1.V70 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 :: 175.631 CA :: 61.938 CB :: 33.170 CG1 :: 20.841 CG2 :: 21.035 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 :: 8.168 HA :: 4.254 HB :: 1.902 HG11 :: 0.742 HG12 :: 0.742 HG13 :: 0.742 HG21 :: 0.856 HG22 :: 0.856 HG23 :: 0.856 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 123.503 Ave N Shift Values>> N :: 121.02(4.96) 1.Q71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.34 C 0.3 Q 0.16 E 0.13 K 0.03 C Shift Assignments>> C :: 173.305 CA :: 55.065 CB :: 31.873 CG :: 34.357 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 :: 8.277 HA :: 4.359 HB2 :: 1.856 HB3 :: 1.856 HG2 :: 2.113 HG3 :: 2.230 HE21 :: 6.934 HE22 :: 7.494 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 :: 125.445 NE2 :: 111.696 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.K72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 K 0.4 R 0.13 M 0.03 C Shift Assignments>> C :: 175.146 CA :: 55.034 CB :: 35.225 CG :: 24.540 CD :: 29.503 CE :: 41.787 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 :: 7.757 HA :: 5.098 HB2 :: 1.516 HB3 :: 1.433 HG2 :: 1.160 HG3 :: 1.098 HD2 :: 1.493 HD3 :: 1.493 HE2 :: 2.787 HE3 :: 2.787 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 :: 122.699 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.F73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.59 C 0.34 G 0.05 C Shift Assignments>> C :: 174.371 CA :: 56.595 CB :: 42.787 CD1 :: 132.400 CD2 :: 132.400 CE1 :: 130.180 CE2 :: 130.180 CZ :: 129.857 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 :: 8.921 HA :: 4.737 HB2 :: 3.060 HB3 :: 2.592 HD1 :: 7.061 HD2 :: 7.061 HE1 :: 6.882 HE2 :: 6.882 HZ :: 6.886 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 :: 122.265 Ave N Shift Values>> N :: 120.69(4.18) 1.R74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.45 C 0.35 K 0.11 G 0.06 L 0.02 C Shift Assignments>> C :: 176.406 CA :: 56.150 CB :: 29.965 CG :: 27.449 CD :: 43.198 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 :: 8.869 HA :: 5.306 HB2 :: 1.996 HB3 :: 1.802 HG2 :: 1.635 HG3 :: 1.635 HD2 :: 3.244 HD3 :: 3.244 HE :: 7.818 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 :: 126.691 NE :: 85.510 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.V75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.77 I 0.12 V 0.09 C Shift Assignments>> C :: 174.783 CA :: 59.460 CB :: 36.198 CG1 :: 24.062 CG2 :: 20.102 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 :: 8.885 HA :: 5.319 HB :: 2.818 HG11 :: 1.008 HG12 :: 1.008 HG13 :: 1.008 HG21 :: 0.801 HG22 :: 0.801 HG23 :: 0.801 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120.485 Ave N Shift Values>> N :: 121.02(4.96) 1.Q76 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.73 M 0.16 E 0.08 C Shift Assignments>> C :: 175.970 CA :: 54.952 CB :: 34.239 CG :: 36.376 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 9.098 HA :: 5.785(S) HB2 :: 2.476 HB3 :: 2.254 HG2 :: 2.514 HG3 :: 2.514 HE21 :: 8.053 HE22 :: 6.635 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 116.428 NE2 :: 112.889 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.Y77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.64 C 0.34 C Shift Assignments>> C :: 173.596 CA :: 54.466 CB :: 41.307 CD1 :: 132.523 CD2 :: 132.523 CE1 :: 118.003 CE2 :: 118.003 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 :: 8.854 HA :: 5.115 HB2 :: 2.925 HB3 :: 2.925 HD1 :: 6.675 HD2 :: 6.675 HE1 :: 6.533 HE2 :: 6.533 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 :: 123.671 Ave N Shift Values>> N :: 120.79(4.69) 1.L78 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.41 R 0.36 K 0.19 L 0.01 C Shift Assignments>> C :: 175.679 CA :: 58.897 CB :: 41.803 CG :: 30.401 CD1 :: 25.588 CD2 :: 26.506 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 :: 8.352 HA :: 3.294 HB2 :: 0.892 HB3 :: 0.494 HG :: -0.888(S) HD11 :: -0.047 HD12 :: -0.047 HD13 :: -0.047 HD21 :: -0.016 HD22 :: -0.016 HD23 :: -0.016 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 :: 129.870 Ave N Shift Values>> N :: 121.98(4.07) 1.G79 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.37 L 0.27 C 0.08 G 0.07 D 0.05 K 0.05 F 0.04 Y 0.02 I 0.01 C Shift Assignments>> C :: 169.018 CA :: 43.338 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 5.496(S) HA2 :: 4.026 HA3 :: 2.295(S) Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 103.249 Ave N Shift Values>> N :: 109.91(4.29) 1.M80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.44 M 0.35 C 0.2 C Shift Assignments>> C :: 175.606 CA :: 52.142 CB :: 34.037 CG :: 32.095 CE :: 17.500 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 7.564 HA :: 5.176 HB2 :: 1.412 HB3 :: 1.341 HG2 :: 1.961 HG3 :: 1.612 HE1 :: 1.870 HE2 :: 1.870 HE3 :: 1.870 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 :: 116.973 Ave N Shift Values>> N :: 120.1(3.88) 1.L81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.56 C 0.25 L 0.16 C Shift Assignments>> C :: 174.613 CA :: 51.993 CB :: 46.683 CG :: 26.757 CD1 :: 24.906 CD2 :: 26.017 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 :: 8.560 HA :: 4.754 HB2 :: 1.433 HB3 :: 1.099 HG :: 1.526 HD11 :: 0.889 HD12 :: 0.889 HD13 :: 0.889 HD21 :: 0.901 HD22 :: 0.901 HD23 :: 0.901 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 :: 125.862 Ave N Shift Values>> N :: 121.98(4.07) 1.P82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.73 C 0.26 C Shift Assignments>> C :: 176.696 CA :: 62.502 CB :: 31.855 CG :: 27.663 CD :: 51.171 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 :: 4.962 HB2 :: 2.334 HB3 :: 1.884 HG2 :: 2.099 HG3 :: 1.873 HD2 :: 3.589 HD3 :: 3.758 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.V83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.77 V 0.1 I 0.1 A 0.01 C Shift Assignments>> C :: 176.163 CA :: 58.979 CB :: 36.124 CG1 :: 23.078 CG2 :: 19.198 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 :: 8.018 HA :: 4.825 HB :: 2.139 HG11 :: 0.762 HG12 :: 0.762 HG13 :: 0.762 HG21 :: 0.664 HG22 :: 0.664 HG23 :: 0.664 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 :: 112.877 Ave N Shift Values>> N :: 121.02(4.96) 1.D84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.23 D 0.21 K 0.17 C 0.1 R 0.08 F 0.07 Y 0.06 N 0.04 C Shift Assignments>> C :: 175.994 CA :: 54.705 CB :: 41.801 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 :: 8.487 HA :: 4.744 HB2 :: 2.754 HB3 :: 2.724 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 :: 116.941 Ave N Shift Values>> N :: 120.73(4.2) 1.R85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 R 0.31 G 0.17 K 0.12 C Shift Assignments>> C :: 173.087 CA :: 52.338 CB :: 32.677 CG :: 26.409 CD :: 43.267 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 :: 7.067 HA :: 4.544 HB2 :: 1.731 HB3 :: 1.646 HG2 :: 1.527 HG3 :: 1.527 HD2 :: 3.114 HD3 :: 3.114 HE :: 7.269 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 :: 116.748 NE :: 85.598 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.P86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.67 C 0.32 C Shift Assignments>> C :: 176.042 CA :: 62.191 CB :: 31.689 CG :: 26.032 CD :: 49.462 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 3.471 HB2 :: 1.447 HB3 :: 1.309 HG2 :: 1.852 HG3 :: 1.744 HD2 :: 2.914 HD3 :: 3.498 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.V87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.86 A 0.05 I 0.04 V 0.03 C Shift Assignments>> C :: 174.202 CA :: 58.012 CB :: 36.902 CG1 :: 21.458 CG2 :: 18.314 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 :: 6.272 HA :: 3.685 HB :: 1.599 HG11 :: 0.706 HG12 :: 0.706 HG13 :: 0.706 HG21 :: 0.510 HG22 :: 0.510 HG23 :: 0.510 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 :: 106.773 Ave N Shift Values>> N :: 121.02(4.96) 1.G88 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.55 L 0.17 R 0.12 C 0.1 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 173.669 CA :: 44.704 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 3.391(S) HA2 :: 4.226 HA3 :: 3.170 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.702 Ave N Shift Values>> N :: 109.91(4.29) SRO Rule Breaks>> (H > HA2 : 0.9980) 1.M89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 M 0.35 A 0.1 C Shift Assignments>> C :: 178.876 CA :: 55.527 CB :: 29.143 CG :: 32.266 CE :: 16.068 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 :: 8.946 HA :: 4.734 HB2 :: 2.035 HB3 :: 2.035 HG2 :: 2.463 HG3 :: 2.594 HE1 :: 2.058 HE2 :: 2.058 HE3 :: 2.058 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 :: 125.175 Ave N Shift Values>> N :: 120.1(3.88) 1.D90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.25 C 0.23 F 0.19 E 0.07 I 0.07 D 0.06 N 0.05 L 0.02 M 0.01 C Shift Assignments>> C :: 179.215 CA :: 56.923 CB :: 38.471 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 :: 8.951 HA :: 4.375 HB2 :: 2.698 HB3 :: 2.608 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 :: 120.197 Ave N Shift Values>> N :: 120.73(4.2) 1.T91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 C 0.01 C Shift Assignments>> C :: 176.357 CA :: 66.083 CB :: 68.483 CG2 :: 21.726 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 :: 7.487 HA :: 3.700 HB :: 3.802 HG21 :: 1.063 HG22 :: 1.063 HG23 :: 1.063 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 119.888 Ave N Shift Values>> N :: 115.7(5.05) 1.L92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 L 0.3 G 0.28 R 0.07 C Shift Assignments>> C :: 178.440 CA :: 58.771 CB :: 44.195 CG :: 26.357 CD1 :: 26.449 CD2 :: 25.518 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 :: 7.940 HA :: 3.738 HB2 :: 1.606 HB3 :: 1.852 HG :: 1.364 HD11 :: 0.708 HD12 :: 0.708 HD13 :: 0.708 HD21 :: 0.593 HD22 :: 0.593 HD23 :: 0.593 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 :: 122.185 Ave N Shift Values>> N :: 121.98(4.07) 1.N93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 Y 0.23 F 0.16 E 0.11 N 0.07 I 0.05 D 0.05 M 0.02 L 0.01 C Shift Assignments>> C :: 178.174 CA :: 56.601 CB :: 38.030 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 :: 9.104 HA :: 4.543 HB2 :: 2.932 HB3 :: 2.556 HD21 :: 7.684 HD22 :: 7.247 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 :: 114.782 ND2 :: 112.385 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.S94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.T119 1.T119 C Shift Assignments>> C :: 176.502 CA :: 61.926 CB :: 62.591 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.741 HA :: 4.188 HB2 :: 3.953 HB3 :: 3.906 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 114.867 Ave N Shift Values>> N :: 116.3(3.95) 1.A95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.51 A 0.4 C 0.03 I 0.02 C Shift Assignments>> C :: 178.682 CA :: 55.042 CB :: 18.576 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.202 HA :: 4.079 HB1 :: 1.292 HB2 :: 1.292 HB3 :: 1.292 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.163 Ave N Shift Values>> N :: 123.23(3.7) 1.I96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.96 C 0.03 C Shift Assignments>> C :: 177.738 CA :: 66.467 CB :: 38.978 CG1 :: 29.008 CG2 :: 17.714 CD1 :: 12.939 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 :: 8.204 HA :: 3.317 HB :: 1.939 HG12 :: 0.725 HG13 :: 1.743 HG21 :: 0.923 HG22 :: 0.923 HG23 :: 0.923 HD11 :: 0.640 HD12 :: 0.640 HD13 :: 0.640 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 :: 116.770 Ave N Shift Values>> N :: 121.6(4.72) 1.E97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 E 0.29 I 0.27 K 0.05 Q 0.01 HN Overlap>> 1.S43 1.S43 C Shift Assignments>> C :: 179.457 CA :: 59.390 CB :: 28.896 CG :: 36.763 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 :: 8.467 HA :: 3.895 HB2 :: 2.033 HB3 :: 2.033 HG2 :: 2.336 HG3 :: 2.481 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 116.168 Ave N Shift Values>> N :: 120.68(3.68) 1.N98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.23 C 0.21 F 0.2 D 0.11 N 0.08 L 0.05 I 0.04 E 0.03 C Shift Assignments>> C :: 178.658 CA :: 56.403 CB :: 38.967 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 :: 7.831 HA :: 4.333 HB2 :: 2.854 HB3 :: 2.774 HD21 :: 6.769 HD22 :: 7.277 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 118.656 ND2 :: 111.687 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.L99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 C 0.36 R 0.07 G 0.01 HN Overlap>> 1.M37 1.M37 C Shift Assignments>> C :: 179.845 CA :: 57.911 CB :: 41.883 CG :: 26.759 CD1 :: 25.407 CD2 :: 22.294 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 :: 7.936 HA :: 4.071 HB2 :: 0.957 HB3 :: 1.557 HG :: 1.526 HD11 :: 0.229 HD12 :: 0.229 HD13 :: 0.229 HD21 :: 0.596 HD22 :: 0.596 HD23 :: 0.596 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 :: 119.754 Ave N Shift Values>> N :: 121.98(4.07) 1.M100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 M 0.44 C Shift Assignments>> C :: 177.229 CA :: 58.700 CB :: 33.644 CG :: 33.026 CE :: 17.061 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 :: 8.593 HA :: 4.244 HB2 :: 2.296 HB3 :: 2.194 HG2 :: 2.459 HG3 :: 2.760 HE1 :: 2.333 HE2 :: 2.333 HE3 :: 2.333 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 118.398 Ave N Shift Values>> N :: 120.1(3.88) 1.T101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.96 C 0.03 C Shift Assignments>> C :: 175.727 CA :: 63.500 CB :: 69.825 CG2 :: 21.499 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 :: 7.765 HA :: 4.424 HB :: 4.430 HG21 :: 1.344 HG22 :: 1.344 HG23 :: 1.344 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 108.370 Ave N Shift Values>> N :: 115.7(5.05) 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 :: 173.402 CA :: 59.110 CB :: 64.346 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.743 HA :: 4.552 HB2 :: 4.057 HB3 :: 3.955 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 :: 115.335 Ave N Shift Values>> N :: 116.3(3.95) 1.S103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.96 T 0.03 C Shift Assignments>> C :: 172.167 CA :: 57.582 CB :: 65.727 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.731 HA :: 4.706 HB2 :: 4.111 HB3 :: 4.111 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 114.450 Ave N Shift Values>> N :: 116.3(3.95) 1.S104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.427 CA :: 56.862 CB :: 65.013 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.587 HA :: 4.397 HB2 :: 3.629 HB3 :: 3.592 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 :: 115.047 Ave N Shift Values>> N :: 116.3(3.95) 1.K105 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.38 C 0.38 R 0.16 M 0.06 C Shift Assignments>> C :: 177.253 CA :: 57.171 CB :: 32.102 CG :: 23.746 CD :: 29.143 CE :: 41.554 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 :: 7.630 HA :: 1.307(S) HB2 :: 0.879(S) HB3 :: 0.713(S) HG2 :: 0.575 HG3 :: 0.714 HD2 :: 1.028 HD3 :: 0.913 HE2 :: 2.274 HE3 :: 2.492 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 :: 123.315 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) SRO Rule Breaks>> (HA > HE2 : 0.9935) (HA > HE3 : 0.9935) 1.E106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 E 0.32 I 0.15 K 0.11 Q 0.04 M 0.01 C Shift Assignments>> C :: 176.963 CA :: 58.252 CB :: 28.650 CG :: 36.211 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 :: 7.925 HA :: 3.763 HB2 :: 1.659 HB3 :: 1.808 HG2 :: 2.097 HG3 :: 2.057 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 :: 115.347 Ave N Shift Values>> N :: 120.68(3.68) 1.D107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.23 D 0.2 K 0.17 C 0.1 R 0.09 F 0.07 Y 0.05 N 0.04 C Shift Assignments>> C :: 176.793 CA :: 54.705 CB :: 41.883 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 :: 7.756 HA :: 4.559 HB2 :: 2.847 HB3 :: 2.700 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 :: 117.370 Ave N Shift Values>> N :: 120.73(4.2) 1.W108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.66 C 0.32 C Shift Assignments>> C :: 174.638 CA :: 53.086 CB :: 28.340 CD1 :: 124.785 CE3 :: 120.082 CZ2 :: 114.423 CZ3 :: 121.549 CH2 :: 123.893 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 7.011 HA :: 5.245 HB2 :: 3.374 HB3 :: 2.793 HD1 :: 6.924 HE1 :: 9.865 HE3 :: 6.909 HZ2 :: 7.272 HZ3 :: 5.875 HH2 :: 6.578 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 123.771 NE1 :: 129.580 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.P109 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 :: 176.817 CA :: 63.095 CB :: 32.513 CG :: 27.557 CD :: 51.417 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 :: 4.611 HB2 :: 2.455 HB3 :: 1.994 HG2 :: 2.296 HG3 :: 2.252 HD2 :: 4.208 HD3 :: 4.728 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.S110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.565 CA :: 59.061 CB :: 63.431 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.731 HA :: 5.027 HB2 :: 3.885 HB3 :: 3.885 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 :: 117.470 Ave N Shift Values>> N :: 116.3(3.95) 1.V111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.73 V 0.23 I 0.01 A 0.01 C Shift Assignments>> C :: 173.548 CA :: 58.844 CB :: 35.980 CG1 :: 22.321 CG2 :: 20.595 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 :: 9.423 HA :: 5.025 HB :: 2.135 HG11 :: 0.858 HG12 :: 0.858 HG13 :: 0.858 HG21 :: 0.744 HG22 :: 0.744 HG23 :: 0.744 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 :: 118.746 Ave N Shift Values>> N :: 121.02(4.96) 1.N112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 N 0.2 L 0.15 C 0.12 K 0.06 F 0.04 Y 0.03 R 0.01 C Shift Assignments>> C :: 174.250 CA :: 52.087 CB :: 41.143 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 :: 9.090 HA :: 5.608 HB2 :: 2.520 HB3 :: 2.406 HD21 :: 7.360 HD22 :: 6.993 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 117.627 ND2 :: 112.853 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.M113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 M 0.42 A 0.08 I 0.01 C Shift Assignments>> C :: 173.620 CA :: 54.384 CB :: 35.971 CG :: 31.691 CE :: 15.235 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 :: 9.593 HA :: 4.952 HB2 :: 2.011 HB3 :: 1.579 HG2 :: 1.889 HG3 :: 1.889 HE1 :: 0.964 HE2 :: 0.964 HE3 :: 0.964 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 :: 124.819 Ave N Shift Values>> N :: 120.1(3.88) 1.N114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 N 0.25 L 0.12 C 0.12 F 0.04 K 0.04 Y 0.03 R 0.01 C Shift Assignments>> C :: 174.565 CA :: 51.828 CB :: 40.878 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 :: 9.439 HA :: 5.440 HB2 :: 2.448 HB3 :: 2.732 HD21 :: 6.864 HD22 :: 6.598 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 :: 127.024 ND2 :: 109.472 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.V115 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 :: 174.686 CA :: 61.856 CB :: 32.687 CG1 :: 21.417 CG2 :: 20.741 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 :: 9.134 HA :: 4.600 HB :: 2.088 HG11 :: 0.719 HG12 :: 0.719 HG13 :: 0.719 HG21 :: 0.754 HG22 :: 0.754 HG23 :: 0.754 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 :: 124.928 Ave N Shift Values>> N :: 121.02(4.96) 1.A116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.38 L 0.3 M 0.13 C 0.13 K 0.02 HN Overlap>> 1.H166 1.H166 C Shift Assignments>> C :: 176.333 CA :: 51.608 CB :: 22.280 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.458 HA :: 4.644 HB1 :: 1.407 HB2 :: 1.407 HB3 :: 1.407 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 128.714 Ave N Shift Values>> N :: 123.23(3.7) 1.D117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.18 F 0.18 D 0.18 C 0.17 N 0.1 L 0.09 I 0.02 K 0.02 E 0.01 C Shift Assignments>> C :: 176.648 CA :: 55.856 CB :: 39.664 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 :: 9.196 HA :: 4.290 HB2 :: 2.534 HB3 :: 2.838 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 :: 120.573 Ave N Shift Values>> N :: 120.73(4.2) 1.A118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.68 M 0.28 C 0.02 C Shift Assignments>> C :: 177.035 CA :: 53.066 CB :: 18.263 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.118 HA :: 4.036 HB1 :: 1.525 HB2 :: 1.525 HB3 :: 1.525 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 118.659 Ave N Shift Values>> N :: 123.23(3.7) 1.T119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.88 C 0.11 HN Overlap>> 1.S94 1.S94 C Shift Assignments>> C :: 172.046 CA :: 62.502 CB :: 72.508 CG2 :: 21.335 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 :: 7.838 HA :: 4.922 HB :: 4.073 HG21 :: 1.029 HG22 :: 1.029 HG23 :: 1.029 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 :: 114.812 Ave N Shift Values>> N :: 115.7(5.05) 1.V120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.65 C 0.34 C Shift Assignments>> C :: 174.662 CA :: 61.363 CB :: 33.519 CG1 :: 20.912 CG2 :: 20.769 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 :: 8.818 HA :: 4.695 HB :: 1.709 HG11 :: 0.616 HG12 :: 0.616 HG13 :: 0.616 HG21 :: 0.620 HG22 :: 0.620 HG23 :: 0.620 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 126.816 Ave N Shift Values>> N :: 121.02(4.96) 1.T121 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 :: 173.427 CA :: 61.280 CB :: 70.629 CG2 :: 22.745 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 :: 9.009 HA :: 5.060 HB :: 3.924 HG21 :: 1.268 HG22 :: 1.268 HG23 :: 1.268 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 122.555 Ave N Shift Values>> N :: 115.7(5.05) 1.V122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.64 C 0.35 C Shift Assignments>> C :: 174.323 CA :: 61.116 CB :: 32.663 CG1 :: 21.833 CG2 :: 21.097 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 :: 9.128 HA :: 4.854 HB :: 1.913 HG11 :: 0.656 HG12 :: 0.656 HG13 :: 0.656 HG21 :: 0.763 HG22 :: 0.763 HG23 :: 0.763 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 126.709 Ave N Shift Values>> N :: 121.02(4.96) 1.I123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.55 C 0.43 C Shift Assignments>> C :: 175.437 CA :: 59.749 CB :: 41.572 CG1 :: 28.348 CG2 :: 18.273 CD1 :: 13.504 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.097 HA :: 4.872 HB :: 1.733 HG12 :: 1.455 HG13 :: 1.029 HG21 :: 1.014 HG22 :: 1.014 HG23 :: 1.014 HD11 :: 0.824 HD12 :: 0.824 HD13 :: 0.824 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 :: 128.074 Ave N Shift Values>> N :: 121.6(4.72) 1.S124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.049 CA :: 58.904 CB :: 63.911 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.450 HA :: 4.363 HB2 :: 4.150 HB3 :: 4.334 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 :: 120.235 Ave N Shift Values>> N :: 116.3(3.95) 1.E125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.35 I 0.13 K 0.05 M 0.05 Q 0.01 C Shift Assignments>> C :: 177.181 CA :: 58.312 CB :: 30.057 CG :: 36.622 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.336 HA :: 4.187 HB2 :: 1.963 HB3 :: 1.855 HG2 :: 2.197 HG3 :: 2.197 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 :: 124.502 Ave N Shift Values>> N :: 120.68(3.68) 1.K126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.38 R 0.18 M 0.02 HN Overlap>> 1.Q23 1.Q23 C Shift Assignments>> C :: 176.381 CA :: 56.842 CB :: 33.405 CG :: 25.033 CD :: 29.143 CE :: 42.047 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 :: 8.105 HA :: 4.262 HB2 :: 1.874 HB3 :: 1.781 HG2 :: 1.505 HG3 :: 1.442 HD2 :: 1.723 HD3 :: 1.723 HE2 :: 3.040 HE3 :: 3.040 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 117.187 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.N127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.47 D 0.18 C 0.15 Y 0.07 F 0.05 L 0.03 E 0.01 C Shift Assignments>> C :: 174.613 CA :: 52.814 CB :: 38.761 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 :: 7.470 HA :: 4.714 HB2 :: 2.889 HB3 :: 2.761 HD21 :: 7.012 HD22 :: 7.715 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 :: 116.252 ND2 :: 112.510 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.E128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.35 C 0.35 I 0.14 K 0.09 Q 0.02 M 0.02 HN Overlap>> 1.F152 1.F152 C Shift Assignments>> C :: 175.679 CA :: 57.963 CB :: 29.200 CG :: 36.540 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 :: 8.668 HA :: 4.154 HB2 :: 1.994 HB3 :: 2.064 HG2 :: 2.270 HG3 :: 2.270 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.351 Ave N Shift Values>> N :: 120.68(3.68) 1.E129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.38 K 0.08 I 0.07 M 0.04 Q 0.02 C Shift Assignments>> C :: 176.236 CA :: 56.448 CB :: 29.523 CG :: 36.787 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 :: 8.034 HA :: 4.186 HB2 :: 2.120 HB3 :: 1.943 HG2 :: 2.263 HG3 :: 2.173 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 :: 115.563 Ave N Shift Values>> N :: 120.68(3.68) 1.E130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.35 M 0.1 K 0.08 Q 0.04 I 0.04 C Shift Assignments>> C :: 173.911 CA :: 56.280 CB :: 30.221 CG :: 36.294 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 :: 7.964 HA :: 4.305 HB2 :: 2.243 HB3 :: 1.882 HG2 :: 2.137 HG3 :: 2.064 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 :: 122.530 Ave N Shift Values>> N :: 120.68(3.68) 1.V131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.79 C 0.2 C Shift Assignments>> C :: 176.527 CA :: 62.924 CB :: 31.747 CG1 :: 21.048 CG2 :: 21.641 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 :: 8.304 HA :: 4.051 HB :: 1.997 HG11 :: 0.891 HG12 :: 0.891 HG13 :: 0.891 HG21 :: 0.780 HG22 :: 0.780 HG23 :: 0.780 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 :: 127.113 Ave N Shift Values>> N :: 121.02(4.96) 1.L132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.42 C 0.29 R 0.22 G 0.03 C Shift Assignments>> C :: 177.592 CA :: 56.503 CB :: 42.826 CG :: 27.766 CD1 :: 25.886 CD2 :: 23.107 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 :: 9.055 HA :: 4.351 HB2 :: 1.489 HB3 :: 1.318 HG :: 1.682 HD11 :: 0.900 HD12 :: 0.900 HD13 :: 0.900 HD21 :: 0.879 HD22 :: 0.879 HD23 :: 0.879 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 :: 129.773 Ave N Shift Values>> N :: 121.98(4.07) 1.V133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 V 0.42 I 0.02 C Shift Assignments>> C :: 172.797 CA :: 61.280 CB :: 35.790 CG1 :: 19.698 CG2 :: 21.316 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 :: 7.352 HA :: 4.192 HB :: 1.720 HG11 :: 0.518 HG12 :: 0.518 HG13 :: 0.518 HG21 :: 0.564 HG22 :: 0.564 HG23 :: 0.564 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 115.079 Ave N Shift Values>> N :: 121.02(4.96) 1.E134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 E 0.28 M 0.2 I 0.01 C Shift Assignments>> C :: 173.741 CA :: 55.445 CB :: 32.184 CG :: 36.866 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 :: 8.702 HA :: 4.842 HB2 :: 1.975 HB3 :: 1.778 HG2 :: 1.856 HG3 :: 2.042 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 :: 127.901 Ave N Shift Values>> N :: 120.68(3.68) 1.C135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.14 K 0.13 E 0.13 W 0.13 H 0.13 C 0.11 R 0.1 M 0.03 I 0.03 L 0.01 C Shift Assignments>> C :: 174.904 CA :: 57.165 CB :: 29.267 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 9.306 HA :: 4.941 HB2 :: 2.861 HB3 :: 2.528 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 126.909 Ave N Shift Values>> N :: 119.95(4.79) 1.R136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.36 G 0.08 K 0.07 L 0.02 C Shift Assignments>> C :: 178.634 CA :: 56.678 CB :: 29.748 CG :: 27.567 CD :: 43.444 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 9.229 HA :: 4.724 HB2 :: 2.003 HB3 :: 2.161 HG2 :: 1.903 HG3 :: 1.903 HD2 :: 3.280 HD3 :: 3.280 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 :: 130.498 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.V137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.95 C 0.04 C Shift Assignments>> C :: 176.866 CA :: 66.389 CB :: 30.980 CG1 :: 21.760 CG2 :: 20.430 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 :: 8.590 HA :: 3.727 HB :: 2.287 HG11 :: 0.853 HG12 :: 0.853 HG13 :: 0.853 HG21 :: 0.954 HG22 :: 0.954 HG23 :: 0.954 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 122.547 Ave N Shift Values>> N :: 121.02(4.96) 1.R138 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.34 C 0.3 K 0.24 L 0.06 G 0.03 HN Overlap>> 1.M21 1.M21 C Shift Assignments>> C :: 175.388 CA :: 58.007 CB :: 29.421 CG :: 26.064 CD :: 42.909 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 :: 8.064 HA :: 4.007 HB2 :: 1.645 HB3 :: 1.206 HG2 :: 1.058 HG3 :: 0.490(S) HD2 :: 2.432 HD3 :: 2.646 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 :: 118.322 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.F139 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> F 0.41 C 0.3 Y 0.27 HN Overlap>> 1.T67 1.T67 C Shift Assignments>> C :: 173.039 CA :: 57.801 CB :: 39.417 CD1 :: 131.689 CD2 :: 131.689 CE1 :: 131.307 CE2 :: 131.307 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 :: 8.199 HA :: 5.023 HB2 :: 4.407(A) HB3 :: 2.944 HD1 :: 7.417 HD2 :: 7.417 HE1 :: 7.309 HE2 :: 7.309 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 :: 115.578 Ave N Shift Values>> N :: 120.69(4.18) 1.L140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.34 C 0.28 L 0.27 G 0.07 K 0.02 C Shift Assignments>> C :: 175.388 CA :: 54.952 CB :: 43.280 CG :: 28.632 CD1 :: 26.363 CD2 :: 25.595 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 :: 7.809 HA :: 4.829 HB2 :: 2.021 HB3 :: 1.439 HG :: 1.640 HD11 :: 0.254 HD12 :: 0.254 HD13 :: 0.254 HD21 :: 0.737 HD22 :: 0.737 HD23 :: 0.737 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 :: 125.637 Ave N Shift Values>> N :: 121.98(4.07) 1.S141 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.011 CA :: 60.458 CB :: 62.844 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.949 HA :: 3.919 HB2 :: 3.170 HB3 :: 2.251(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 :: 120.685 Ave N Shift Values>> N :: 116.3(3.95) 1.F142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.68 C 0.27 F 0.02 Y 0.01 C Shift Assignments>> C :: 172.094 CA :: 57.335 CB :: 46.265 CE1 :: 130.702 CE2 :: 130.702 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 :: 7.691 HA :: 5.500 HB2 :: 3.685 HB3 :: 2.612 HD1 :: 7.034 HD2 :: 7.034 HE1 :: 7.267 HE2 :: 7.267 HZ :: 7.394 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 :: 124.497 Ave N Shift Values>> N :: 120.69(4.18) 1.M143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.46 C 0.35 M 0.18 C Shift Assignments>> C :: 171.223 CA :: 54.199 CB :: 37.033 CG :: 31.679 CE :: 19.794 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 7.613 HA :: 5.291 HB2 :: 2.059 HB3 :: 2.364 HG2 :: 2.280 HG3 :: 2.679 HE1 :: 2.014 HE2 :: 2.014 HE3 :: 2.014 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 :: 121.830 Ave N Shift Values>> N :: 120.1(3.88) 1.G144 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 :: 169.043 CA :: 46.075 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.126 HA2 :: 4.173 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 :: 103.082 Ave N Shift Values>> N :: 109.91(4.29) 1.V145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.7 V 0.25 I 0.03 C Shift Assignments>> C :: 175.001 CA :: 59.521 CB :: 35.691 CG1 :: 23.054 CG2 :: 20.288 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 :: 6.868 HA :: 4.918 HB :: 1.277 HG11 :: 0.926 HG12 :: 0.926 HG13 :: 0.926 HG21 :: 1.275 HG22 :: 1.275 HG23 :: 1.275 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 :: 119.165 Ave N Shift Values>> N :: 121.02(4.96) 1.G146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.64 L 0.14 C 0.09 R 0.08 F 0.01 C Shift Assignments>> C :: 172.191 CA :: 44.924 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.519 HA2 :: 4.634 HA3 :: 3.738 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.902 Ave N Shift Values>> N :: 109.91(4.29) 1.K147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.36 R 0.19 M 0.01 G 0.01 C Shift Assignments>> C :: 177.956 CA :: 59.229 CB :: 32.335 CG :: 25.115 CD :: 29.061 CE :: 42.129 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 :: 8.092 HA :: 3.806 HB2 :: 1.740 HB3 :: 1.740 HG2 :: 1.416 HG3 :: 1.416 HD2 :: 1.661 HD3 :: 1.661 HE2 :: 2.912 HE3 :: 2.965 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 117.749 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.D148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.27 D 0.23 R 0.12 C 0.11 K 0.09 N 0.05 F 0.03 G 0.03 Y 0.02 HN Overlap>> 1.N176 1.N176 C Shift Assignments>> C :: 178.149 CA :: 52.877 CB :: 42.574 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 :: 8.418 HA :: 4.930 HB2 :: 2.446 HB3 :: 2.868 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 :: 116.590 Ave N Shift Values>> N :: 120.73(4.2) 1.V149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.64 C 0.34 I 0.01 C Shift Assignments>> C :: 175.291 CA :: 63.823 CB :: 31.679 CG1 :: 21.252 CG2 :: 17.607 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 :: 8.427 HA :: 3.790 HB :: 2.271 HG11 :: 0.971 HG12 :: 0.971 HG13 :: 0.971 HG21 :: 0.673 HG22 :: 0.673 HG23 :: 0.673 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 :: 121.365 Ave N Shift Values>> N :: 121.02(4.96) 1.H150 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.41 H 0.31 W 0.27 C Shift Assignments>> C :: 176.285 CA :: 58.055 CB :: 25.855 CD2 :: 121.157 CE1 :: 134.670 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 9.003 HA :: 3.934 HB2 :: 0.637(S) HB3 :: 1.463(S) HD2 :: 7.021 HE1 :: 8.625 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 :: 117.203 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.T151 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.71 T 0.28 C Shift Assignments>> C :: 172.240 CA :: 60.309 CB :: 71.883 CG2 :: 24.268 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 :: 8.476 HA :: 5.172 HB :: 3.887 HG21 :: 1.343 HG22 :: 1.343 HG23 :: 1.343 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 :: 109.487 Ave N Shift Values>> N :: 115.7(5.05) 1.F152 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.54 F 0.26 C 0.18 HN Overlap>> 1.E128 1.E128 C Shift Assignments>> C :: 172.482 CA :: 54.869 CB :: 44.677 CD1 :: 131.711 CD2 :: 131.711 CE1 :: 130.641 CE2 :: 130.641 CZ :: 129.338 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 :: 8.735 HA :: 5.306 HB2 :: 3.194 HB3 :: 2.441 HD1 :: 6.951 HD2 :: 6.951 HE1 :: 6.974 HE2 :: 6.974 HZ :: 7.179 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 :: 121.395 Ave N Shift Values>> N :: 120.69(4.18) 1.A153 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.72 C 0.1 L 0.09 K 0.02 R 0.01 C Shift Assignments>> C :: 174.177 CA :: 49.838 CB :: 25.191(S) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.992 HA :: 5.481 HB1 :: 0.989 HB2 :: 0.989 HB3 :: 0.989 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 127.533 Ave N Shift Values>> N :: 123.23(3.7) 1.F154 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.53 C 0.34 G 0.11 C Shift Assignments>> C :: 172.458 CA :: 55.007 CB :: 43.071 CD1 :: 132.195 CD2 :: 132.195 CE1 :: 130.887 CE2 :: 130.887 CZ :: 127.729 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 :: 8.028 HA :: 5.460 HB2 :: 3.379 HB3 :: 2.724 HD1 :: 7.039 HD2 :: 7.039 HE1 :: 7.163 HE2 :: 7.163 HZ :: 6.774 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 :: 111.376 Ave N Shift Values>> N :: 120.69(4.18) 1.I155 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.66 C 0.33 HN Overlap>> 1.E164 1.E164 C Shift Assignments>> C :: 173.935 CA :: 60.685 CB :: 39.944 CG1 :: 28.622 CG2 :: 18.783 CD1 :: 12.869 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.279 HA :: 5.037 HB :: 1.719 HG12 :: 0.585 HG13 :: 1.674 HG21 :: 0.851 HG22 :: 0.851 HG23 :: 0.851 HD11 :: 0.601 HD12 :: 0.601 HD13 :: 0.601 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 :: 121.178 Ave N Shift Values>> N :: 121.6(4.72) 1.M156 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.57 C 0.3 M 0.1 I 0.01 C Shift Assignments>> C :: 174.056 CA :: 53.174 CB :: 37.905 CG :: 31.751 CE :: 17.649 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 :: 9.505 HA :: 5.785 HB2 :: 2.341 HB3 :: 2.307 HG2 :: 2.694 HG3 :: 2.694 HE1 :: 2.205 HE2 :: 2.205 HE3 :: 2.205 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 :: 123.763 Ave N Shift Values>> N :: 120.1(3.88) 1.D157 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 R 0.17 D 0.16 C 0.12 G 0.1 K 0.04 F 0.02 N 0.02 Y 0.02 C Shift Assignments>> C :: 176.938 CA :: 52.897 CB :: 43.280 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 :: 9.439 HA :: 5.032 HB2 :: 2.934 HB3 :: 3.577 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 :: 124.498 Ave N Shift Values>> N :: 120.73(4.2) 1.T158 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 :: 175.001 CA :: 61.856 CB :: 68.730 CG2 :: 21.992 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 :: 8.501 HA :: 4.283 HB :: 4.485 HG21 :: 1.208 HG22 :: 1.208 HG23 :: 1.208 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 :: 116.317 Ave N Shift Values>> N :: 115.7(5.05) 1.G159 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.54 L 0.18 R 0.12 C 0.1 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 173.959 CA :: 44.677 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.960 HA2 :: 3.543 HA3 :: 4.298 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 113.053 Ave N Shift Values>> N :: 109.91(4.29) 1.N160 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.42 C 0.22 Y 0.09 D 0.09 F 0.06 E 0.05 M 0.02 L 0.01 C Shift Assignments>> C :: 173.959 CA :: 53.599 CB :: 37.764 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 :: 8.771 HA :: 4.411 HB2 :: 2.578 HB3 :: 2.850 HD21 :: 6.851 HD22 :: 7.482 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 118.182 ND2 :: 112.973 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.Q161 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 K 0.27 Q 0.11 E 0.05 I 0.04 R 0.03 M 0.02 C Shift Assignments>> C :: 173.790 CA :: 56.953 CB :: 25.815 CG :: 34.957 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 9.028 HA :: 3.251 HB2 :: 2.229 HB3 :: 2.144 HG2 :: 2.265 HG3 :: 2.265 HE21 :: 7.707 HE22 :: 6.800 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 :: 112.273 NE2 :: 112.959 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.R162 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.48 C 0.32 K 0.08 G 0.07 L 0.02 C Shift Assignments>> C :: 174.759 CA :: 54.693 CB :: 30.222 CG :: 27.101 CD :: 43.280 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 :: 6.828 HA :: 4.293 HB2 :: 1.656 HB3 :: 1.656 HG2 :: 1.382 HG3 :: 1.533 HD2 :: 3.112 HD3 :: 3.112 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 :: 118.080 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.F163 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 :: 176.285 CA :: 56.407 CB :: 41.099 CD1 :: 131.452 CD2 :: 131.452 CE1 :: 131.322 CE2 :: 131.322 CZ :: 129.338 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 :: 8.280 HA :: 5.604 HB2 :: 2.827 HB3 :: 2.667 HD1 :: 6.892 HD2 :: 6.892 HE1 :: 7.289 HE2 :: 7.289 HZ :: 7.254 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 :: 123.389 Ave N Shift Values>> N :: 120.69(4.18) 1.E164 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.72 M 0.17 E 0.09 HN Overlap>> 1.I155 1.I155 C Shift Assignments>> C :: 174.226 CA :: 54.869 CB :: 34.157 CG :: 36.449 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 :: 9.253 HA :: 4.618 HB2 :: 1.915 HB3 :: 1.661 HG2 :: 2.195 HG3 :: 2.256 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 :: 121.130 Ave N Shift Values>> N :: 120.68(3.68) 1.C165 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.15 H 0.14 K 0.14 W 0.12 E 0.12 C 0.11 R 0.1 M 0.03 I 0.02 L 0.02 C Shift Assignments>> C :: 172.627 CA :: 56.421 CB :: 29.220 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.921 HA :: 5.442 HB2 :: 2.408 HB3 :: 2.618 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 :: 124.124 Ave N Shift Values>> N :: 119.95(4.79) 1.H166 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.73 H 0.19 W 0.06 HN Overlap>> 1.A116 1.A116 C Shift Assignments>> C :: 174.274 CA :: 55.538 CB :: 34.157 CD2 :: 116.376 CE1 :: 138.921 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 :: 8.415 HA :: 4.697 HB2 :: 2.596 HB3 :: 1.715 HD2 :: 6.492 HE1 :: 7.699 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 :: 128.814 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.V167 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 V 0.47 C Shift Assignments>> C :: 173.475 CA :: 61.560 CB :: 33.533 CG1 :: 24.047 CG2 :: 22.567 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 :: 7.565 HA :: 4.571 HB :: 1.417 HG11 :: 0.848 HG12 :: 0.848 HG13 :: 0.848 HG21 :: 0.595 HG22 :: 0.595 HG23 :: 0.595 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 :: 119.758 Ave N Shift Values>> N :: 121.02(4.96) 1.F168 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.5 C 0.36 G 0.12 C Shift Assignments>> C :: 173.354 CA :: 56.678 CB :: 43.198 CD1 :: 132.359 CD2 :: 132.359 CE1 :: 131.530 CE2 :: 131.530 CZ :: 128.029 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 9.489 HA :: 5.431 HB2 :: 3.207 HB3 :: 2.788 HD1 :: 7.249 HD2 :: 7.249 HE1 :: 6.895 HE2 :: 6.895 HZ :: 6.774 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 :: 124.072 Ave N Shift Values>> N :: 120.69(4.18) 1.W169 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.49 C 0.45 H 0.04 C Shift Assignments>> C :: 176.067 CA :: 56.760 CB :: 31.280 CD1 :: 127.284 CE3 :: 120.453 CZ2 :: 114.150 CZ3 :: 121.403 CH2 :: 124.607 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 :: 9.300 HA :: 4.883 HB2 :: 3.208 HB3 :: 2.915 HD1 :: 7.298 HE1 :: 10.653 HE3 :: 7.241 HZ2 :: 6.552 HZ3 :: 7.009 HH2 :: 7.161 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 :: 122.430 NE1 :: 131.722 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.C170 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.14 W 0.14 E 0.13 C 0.13 H 0.13 Q 0.1 M 0.09 K 0.08 V 0.01 I 0.01 C Shift Assignments>> C :: 173.015 CA :: 57.171 CB :: 30.777 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 9.320 HA :: 4.820 HB2 :: 2.806 HB3 :: 2.382 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 :: 129.668 Ave N Shift Values>> N :: 119.95(4.79) 1.E171 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 M 0.27 E 0.16 Q 0.14 K 0.06 C Shift Assignments>> C :: 176.720 CA :: 53.225 CB :: 30.948 CG :: 35.026 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 :: 8.826 HA :: 4.674 HB2 :: 1.940 HB3 :: 2.159 HG2 :: 2.645 HG3 :: 2.486 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 :: 120.023 Ave N Shift Values>> N :: 120.68(3.68) 1.P172 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.54 C 0.44 C Shift Assignments>> C :: 175.364 CA :: 64.254 CB :: 33.835 CG :: 24.704 CD :: 49.817 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 5.097 HB2 :: 2.496 HB3 :: 2.148 HG2 :: 2.104 HG3 :: 1.789 HD2 :: 3.579 HD3 :: 3.887 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.N173 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.51 C 0.16 D 0.15 Y 0.06 F 0.05 L 0.02 E 0.01 C Shift Assignments>> C :: 174.395 CA :: 52.583 CB :: 38.483 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 :: 7.398 HA :: 3.833 HB2 :: 2.928 HB3 :: 2.244 HD21 :: 7.802 HD22 :: 7.327 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 :: 110.803 ND2 :: 117.651 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.A174 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.68 M 0.18 L 0.06 C 0.05 C Shift Assignments>> C :: 177.714 CA :: 52.321 CB :: 20.707 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.568 HA :: 4.181 HB1 :: 1.268 HB2 :: 1.268 HB3 :: 1.268 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 116.022 Ave N Shift Values>> N :: 123.23(3.7) 1.A175 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.58 I 0.24 A 0.06 C 0.04 V 0.04 T 0.01 C Shift Assignments>> C :: 177.665 CA :: 57.659 CB :: 18.211 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.089 HA :: 3.582 HB1 :: 1.390 HB2 :: 1.390 HB3 :: 1.390 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.387 Ave N Shift Values>> N :: 123.23(3.7) 1.N176 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 E 0.2 Y 0.17 F 0.1 N 0.08 M 0.04 I 0.04 D 0.02 K 0.02 HN Overlap>> 1.D148 1.D148 C Shift Assignments>> C :: 178.246 CA :: 56.184 CB :: 37.236 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 :: 8.473 HA :: 4.248 HB2 :: 2.860 HB3 :: 2.748 HD21 :: 7.001 HD22 :: 7.670 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 :: 116.540 ND2 :: 111.275 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.V177 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.92 C 0.07 C Shift Assignments>> C :: 176.067 CA :: 65.490 CB :: 31.640 CG1 :: 20.841 CG2 :: 22.995 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 :: 8.159 HA :: 2.180(S) HB :: 1.061 HG11 :: -0.167(S) HG12 :: -0.167(S) HG13 :: -0.167(S) HG21 :: 0.150 HG22 :: 0.150 HG23 :: 0.150 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 :: 121.923 Ave N Shift Values>> N :: 121.02(4.96) 1.S178 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.091 CA :: 61.167 CB :: 63.511 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.268 HA :: 3.176 HB2 :: 3.650 HB3 :: 3.562 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 :: 111.891 Ave N Shift Values>> N :: 116.3(3.95) 1.E179 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 E 0.3 I 0.2 K 0.08 Q 0.04 M 0.02 C Shift Assignments>> C :: 178.149 CA :: 59.864 CB :: 29.335 CG :: 35.883 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 :: 7.886 HA :: 3.637 HB2 :: 1.739 HB3 :: 1.453 HG2 :: 1.827 HG3 :: 1.682 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 :: 122.385 Ave N Shift Values>> N :: 120.68(3.68) 1.A180 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.45 A 0.45 C 0.03 I 0.01 V 0.01 L 0.01 C Shift Assignments>> C :: 180.063 CA :: 54.796 CB :: 19.071 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.448 HA :: 4.042 HB1 :: 1.414 HB2 :: 1.414 HB3 :: 1.414 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.177 Ave N Shift Values>> N :: 123.23(3.7) 1.V181 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.92 C 0.07 C Shift Assignments>> C :: 177.762 CA :: 66.952 CB :: 31.053 CG1 :: 23.523 CG2 :: 22.787 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 :: 7.946 HA :: 3.306 HB :: 1.829 HG11 :: 0.699 HG12 :: 0.699 HG13 :: 0.699 HG21 :: 0.694 HG22 :: 0.694 HG23 :: 0.694 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 :: 117.848 Ave N Shift Values>> N :: 121.02(4.96) 1.Q182 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.32 K 0.24 Q 0.15 R 0.13 P 0.06 E 0.03 M 0.03 I 0.02 HN Overlap>> 1.V11 1.I46 1.V11 1.I46 C Shift Assignments>> C :: 178.585 CA :: 60.130 CB :: 28.485 CG :: 32.805 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 :: 8.007 HA :: 3.589 HB2 :: 1.921 HB3 :: 1.789 HG2 :: 1.588 HG3 :: 1.074(S) HE21 :: 5.664 HE22 :: 6.419 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 :: 119.547 NE2 :: 108.454 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.A183 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.58 M 0.37 C 0.02 I 0.01 C Shift Assignments>> C :: 177.665 CA :: 53.802 CB :: 18.300 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.928 HA :: 4.035 HB1 :: 1.408 HB2 :: 1.408 HB3 :: 1.408 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.253 Ave N Shift Values>> N :: 123.23(3.7) 1.A184 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.79 M 0.18 C 0.02 C Shift Assignments>> C :: 177.181 CA :: 52.157 CB :: 18.978 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.314 HA :: 4.273 HB1 :: 1.342 HB2 :: 1.342 HB3 :: 1.342 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.892 Ave N Shift Values>> N :: 123.23(3.7) 1.C185 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.43 P 0.16 V 0.13 C 0.12 W 0.07 E 0.01 R 0.01 K 0.01 H 0.01 C Shift Assignments>> C :: 179.603 CA :: 63.171 CB :: 29.267 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.092 HA :: 4.061 HB2 :: 3.174 HB3 :: 3.304 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 :: 120.991 Ave N Shift Values>> N :: 119.95(4.79) ########################################################################### Overall Results: #Consistent: 172 #Clerical: 0 #Suspicious: 12 #Anomalous: 1 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 167 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 18 Shift Relative Order (SRO) Results: #Consistent: 183 #Suspicious: 2 C Shift Results: #Consistent: 724 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent:1133 #Duplicate: 0 #Unknown: 0 #Suspicious: 18 #Anomalous: 1 N Shift Results: #Consistent: 179 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.N28 HD22 = 9.307(S), Expected = 7.20, Std = 0.5200, ChiSquare = 5.0798e-05 1.Q76 HA = 5.785(S), Expected = 4.28, Std = 0.4400, ChiSquare = 6.2517e-04 1.L78 HG = -0.888(S), Expected = 1.54, Std = 0.3300, ChiSquare = 1.8728e-13 1.G79 H = 5.496(S), Expected = 8.34, Std = 0.7400, ChiSquare = 1.2142e-04 1.G79 HA3 = 2.295(S), Expected = 3.93, Std = 0.4000, ChiSquare = 4.3605e-05 1.G88 H = 3.391(S), Expected = 8.34, Std = 0.7400, ChiSquare = 2.2649e-11 1.G88 SRO Rule Break>> H > HA2 : 0.99798460974716 1.K105 HA = 1.307(S), Expected = 4.28, Std = 0.4500, ChiSquare = 3.9307e-11 1.K105 HB2 = 0.879(S), Expected = 1.79, Std = 0.2500, ChiSquare = 2.6843e-04 1.K105 HB3 = 0.713(S), Expected = 1.78, Std = 0.2600, ChiSquare = 4.0634e-05 1.K105 SRO Rule Break>> HA > HE2 : 0.99351606248158 1.K105 SRO Rule Break>> HA > HE3 : 0.993548387096774 1.R138 HG3 = 0.490(S), Expected = 1.58, Std = 0.2700, ChiSquare = 5.4131e-05 1.F139 HB2 = 4.407(A), Expected = 2.99, Std = 0.3700, ChiSquare = 1.2828e-04 1.S141 HB3 = 2.251(S), Expected = 3.87, Std = 0.3100, ChiSquare = 1.7645e-07 1.H150 HB2 = 0.637(S), Expected = 3.12, Std = 0.4300, ChiSquare = 7.7219e-09 1.H150 HB3 = 1.463(S), Expected = 3.11, Std = 0.4500, ChiSquare = 2.5222e-04 1.A153 CB = 25.191(S), Expected = 18.90, Std = 1.8500, ChiSquare = 6.7253e-04 1.V177 HA = 2.180(S), Expected = 4.16, Std = 0.5700, ChiSquare = 5.1336e-04 1.V177 HG11 = -0.167(S), Expected = 0.84, Std = 0.2700, ChiSquare = 1.9176e-04 1.V177 HG12 = -0.167(S), Expected = 0.84, Std = 0.2700, ChiSquare = 1.9176e-04 1.V177 HG13 = -0.167(S), Expected = 0.84, Std = 0.2700, ChiSquare = 1.9176e-04 1.Q182 HG3 = 1.074(S), Expected = 2.32, Std = 0.2900, ChiSquare = 1.7348e-05