Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S6 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G7 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.M8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> M 0.44 I 0.39 A 0.14 C Shift Assignments>> CE :: 17.053 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>> HE1 :: 2.077 HE2 :: 2.077 HE3 :: 2.077 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) 1.S9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 173.984 CA :: 58.406 CB :: 63.843 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> HA :: 4.334 HB2 :: 3.818 HB3 :: 3.818 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.A10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.75 M 0.2 C 0.02 C Shift Assignments>> C :: 177.801 CA :: 52.513 CB :: 19.392 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 :: 4.228 HB1 :: 1.091 HB2 :: 1.091 HB3 :: 1.091 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.066 Ave N Shift Values>> N :: 123.23(3.7) 1.S11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.049 CA :: 58.135 CB :: 64.398 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.416 HA :: 4.549 HB2 :: 4.181 HB3 :: 3.961 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 :: 116.265 Ave N Shift Values>> N :: 116.3(3.95) 1.V12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.91 C 0.08 HN Overlap>> 1.E22 1.E22 C Shift Assignments>> C :: 176.984 CA :: 64.922 CB :: 31.685 CG1 :: 21.568 CG2 :: 22.317 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 :: 8.534 HA :: 4.252 HB :: 2.205 HG11 :: 0.976 HG12 :: 0.976 HG13 :: 0.976 HG21 :: 1.024 HG22 :: 1.024 HG23 :: 1.024 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 :: 123.386 Ave N Shift Values>> N :: 121.02(4.96) 1.K13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 R 0.33 K 0.16 G 0.01 C Shift Assignments>> C :: 178.570 CA :: 60.752 CB :: 32.153 CG :: 27.432 CD :: 29.579 CE :: 41.980 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 :: 8.101 HA :: 4.020 HB2 :: 1.849 HB3 :: 1.849 HG2 :: 1.726 HG3 :: 1.253 HD2 :: 1.685 HD3 :: 1.685 HE2 :: 2.781 HE3 :: 2.592 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 118.880 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 E 0.3 I 0.29 K 0.02 M 0.01 C Shift Assignments>> C :: 179.791 CA :: 59.577 CB :: 29.728 CG :: 37.193 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 :: 7.816 HA :: 4.143 HB2 :: 2.295 HB3 :: 2.212 HG2 :: 2.377 HG3 :: 2.377 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 117.778 Ave N Shift Values>> N :: 120.68(3.68) 1.S15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.611 CA :: 62.872 CB :: 62.205 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.299 HA :: 4.212 HB2 :: 4.575 HB3 :: 4.075 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 :: 116.272 Ave N Shift Values>> N :: 116.3(3.95) 1.L16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 L 0.39 R 0.14 HN Overlap>> 1.F95 1.F95 C Shift Assignments>> C :: 179.172 CA :: 58.349 CB :: 41.711 CG :: 26.978 CD1 :: 26.997 CD2 :: 22.300 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 :: 8.741 HA :: 4.162 HB2 :: 2.163 HB3 :: 1.428 HG :: 2.249 HD11 :: 0.815 HD12 :: 0.815 HD13 :: 0.815 HD21 :: 1.043 HD22 :: 1.043 HD23 :: 1.043 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.561 Ave N Shift Values>> N :: 121.98(4.07) 1.Q17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 E 0.2 K 0.18 Q 0.16 I 0.09 R 0.02 M 0.01 C Shift Assignments>> C :: 179.315 CA :: 59.529 CB :: 28.740 CG :: 34.723 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 :: 7.816 HA :: 4.046 HB2 :: 2.346 HB3 :: 2.229 HG2 :: 2.598 HG3 :: 2.469 HE21 :: 7.321 HE22 :: 6.970 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 :: 116.763 NE2 :: 111.569 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.L18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.49 C 0.37 R 0.12 C Shift Assignments>> C :: 178.691 CA :: 58.173 CB :: 41.755 CG :: 27.222 CD1 :: 26.022 CD2 :: 22.905 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 :: 7.562 HA :: 4.197 HB2 :: 2.227 HB3 :: 1.376 HG :: 1.965 HD11 :: 0.910 HD12 :: 0.910 HD13 :: 0.910 HD21 :: 0.954 HD22 :: 0.954 HD23 :: 0.954 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.634 Ave N Shift Values>> N :: 121.98(4.07) 1.Q19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 I 0.23 E 0.15 K 0.1 Q 0.08 P 0.02 R 0.01 HN Overlap>> 1.S149 1.S149 C Shift Assignments>> C :: 179.314 CA :: 60.498 CB :: 27.709 CG :: 35.153 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 :: 8.284 HA :: 3.995 HB2 :: 2.369 HB3 :: 2.319 HG2 :: 3.065 HG3 :: 2.692 HE21 :: 8.280 HE22 :: 6.324 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 :: 119.568 NE2 :: 110.486 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.L20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.49 C 0.43 R 0.05 HN Overlap>> 1.D40 1.E52 1.D40 1.E52 C Shift Assignments>> CA :: 58.370 CB :: 41.191 CG :: 26.519 CD1 :: 26.632 CD2 :: 23.277 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 :: 8.113 HA :: 4.008 HB2 :: 2.035 HB3 :: 1.606 HG :: 2.024 HD11 :: 0.954 HD12 :: 0.954 HD13 :: 0.954 HD21 :: 0.970 HD22 :: 0.970 HD23 :: 0.970 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 116.962 Ave N Shift Values>> N :: 121.98(4.07) 1.L21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 C 0.35 R 0.04 HN Overlap>> 1.A91 1.A91 C Shift Assignments>> CA :: 58.241 CB :: 41.535 CG :: 26.865 CD1 :: 25.125 CD2 :: 23.790 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 :: 7.607 HA :: 4.177 HB2 :: 2.022 HB3 :: 1.848 HG :: 1.834 HD11 :: 0.994 HD12 :: 0.994 HD13 :: 0.994 HD21 :: 0.931 HD22 :: 0.931 HD23 :: 0.931 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.444 Ave N Shift Values>> N :: 121.98(4.07) 1.E22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.43 C 0.33 E 0.21 K 0.01 HN Overlap>> 1.V12 1.V12 C Shift Assignments>> C :: 179.120 CA :: 60.436 CB :: 29.566 CG :: 37.584 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 :: 8.590 HA :: 4.010 HB2 :: 2.422 HB3 :: 2.224 HG2 :: 2.311 HG3 :: 2.210 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 :: 123.405 Ave N Shift Values>> N :: 120.68(3.68) 1.M23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.69 M 0.29 A 0.01 C Shift Assignments>> C :: 178.429 CA :: 56.013 CB :: 28.864 CG :: 31.288 CE :: 14.084 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 :: 8.748 HA :: 4.311 HB2 :: 2.229 HB3 :: 1.741 HG2 :: 2.943 HG3 :: 2.526 HE1 :: 0.945 HE2 :: 0.945 HE3 :: 0.945 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 :: 115.888 Ave N Shift Values>> N :: 120.1(3.88) 1.E24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 I 0.29 E 0.29 K 0.04 M 0.01 Q 0.01 C Shift Assignments>> C :: 180.151 CA :: 60.012 CB :: 29.274 CG :: 36.599 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 :: 8.107 HA :: 4.160 HB2 :: 2.262 HB3 :: 2.178 HG2 :: 2.530 HG3 :: 2.298 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 :: 119.102 Ave N Shift Values>> N :: 120.68(3.68) 1.M25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 M 0.47 HN Overlap>> 1.E35 1.E35 1.L143 1.L143 C Shift Assignments>> C :: 179.373 CA :: 58.943 CB :: 31.901 CG :: 31.676 CE :: 17.141 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 :: 7.799 HA :: 4.200 HB2 :: 2.393 HB3 :: 2.304 HG2 :: 2.741 HG3 :: 2.604 HE1 :: 2.161 HE2 :: 2.161 HE3 :: 2.161 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 :: 120.040 Ave N Shift Values>> N :: 120.1(3.88) 1.L26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 C 0.36 R 0.08 HN Overlap>> 1.T82 1.T82 C Shift Assignments>> C :: 179.235 CA :: 58.385 CB :: 41.764 CG :: 26.709 CD1 :: 26.271 CD2 :: 24.631 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 :: 8.570 HA :: 4.131 HB2 :: 1.763 HB3 :: 1.314 HG :: 1.798 HD11 :: 0.858 HD12 :: 0.858 HD13 :: 0.858 HD21 :: 0.768 HD22 :: 0.768 HD23 :: 0.768 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 :: 122.578 Ave N Shift Values>> N :: 121.98(4.07) 1.F27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.62 C 0.36 C Shift Assignments>> C :: 178.132 CA :: 60.508 CB :: 38.149 CD1 :: 131.507 CD2 :: 131.507 CE1 :: 130.596 CE2 :: 130.596 CZ :: 128.619 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 :: 8.713 HA :: 4.447 HB2 :: 3.242 HB3 :: 3.024 HD1 :: 7.338 HD2 :: 7.338 HE1 :: 7.173 HE2 :: 7.173 HZ :: 7.014 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 :: 116.803 Ave N Shift Values>> N :: 120.69(4.18) 1.S28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.709 CA :: 60.865 CB :: 63.242 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.651 HA :: 4.366 HB2 :: 4.023 HB3 :: 4.023 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 :: 113.359 Ave N Shift Values>> N :: 116.3(3.95) 1.M29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 M 0.43 I 0.04 A 0.01 C Shift Assignments>> C :: 175.745 CA :: 57.905 CB :: 34.856 CG :: 31.910 CE :: 16.887 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 :: 7.659 HA :: 3.948 HB2 :: 1.962 HB3 :: 1.641 HG2 :: 2.429 HG3 :: 2.092 HE1 :: 2.094 HE2 :: 2.094 HE3 :: 2.094 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 :: 121.206 Ave N Shift Values>> N :: 120.1(3.88) 1.F30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.55 C 0.44 HN Overlap>> 1.S138 1.S138 C Shift Assignments>> CA :: 55.677 CB :: 39.163 CD1 :: 132.706 CD2 :: 132.706 CE1 :: 130.812 CE2 :: 130.812 CZ :: 128.830 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 :: 7.930 HA :: 4.947 HB2 :: 3.082 HB3 :: 2.844 HD1 :: 7.360 HD2 :: 7.360 HE1 :: 7.262 HE2 :: 7.262 HZ :: 7.162 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 117.825 Ave N Shift Values>> N :: 120.69(4.18) 1.P31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.83 C 0.15 C Shift Assignments>> CA :: 64.055 CB :: 33.082 CG :: 26.285 CD :: 49.720 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 :: 4.813 HB2 :: 2.311 HB3 :: 2.058 HG2 :: 1.991 HG3 :: 1.814 HD2 :: 3.696 HD3 :: 3.332 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.N32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.37 D 0.22 C 0.15 Y 0.09 F 0.07 L 0.05 HN Overlap>> 1.R103 1.R103 C Shift Assignments>> CA :: 53.505 CB :: 39.136 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 :: 8.618 HA :: 4.787 HB2 :: 2.776 HB3 :: 2.776 HD21 :: 8.200 HD22 :: 7.146 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 119.290 ND2 :: 116.358 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.Q33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.27 Q 0.24 K 0.24 E 0.09 R 0.08 M 0.02 I 0.01 C Shift Assignments>> CA :: 58.011 CB :: 28.286 CG :: 33.726 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>> HA :: 4.198 HB2 :: 2.130 HB3 :: 2.130 HG2 :: 2.452 HG3 :: 2.452 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) 1.G34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 L 0.08 C 0.08 R 0.02 C Shift Assignments>> C :: 174.364 CA :: 45.449 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.081 HA2 :: 4.208 HA3 :: 3.706 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 113.410 Ave N Shift Values>> N :: 109.91(4.29) 1.E35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 I 0.39 E 0.18 M 0.01 HN Overlap>> 1.M25 1.M25 C Shift Assignments>> C :: 176.031 CA :: 59.965 CB :: 30.306 CG :: 38.276 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 :: 7.861 HA :: 4.214 HB2 :: 2.268 HB3 :: 2.104 HG2 :: 2.300 HG3 :: 2.300 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.074 Ave N Shift Values>> N :: 120.68(3.68) 1.V36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.72 C 0.27 C Shift Assignments>> C :: 175.526 CA :: 62.091 CB :: 32.004 CG1 :: 21.333 CG2 :: 21.199 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 :: 7.938 HA :: 4.297 HB :: 1.991 HG11 :: 0.297 HG12 :: 0.297 HG13 :: 0.297 HG21 :: 0.671 HG22 :: 0.671 HG23 :: 0.671 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 :: 116.803 Ave N Shift Values>> N :: 121.02(4.96) 1.K37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.44 C 0.36 R 0.13 M 0.04 C Shift Assignments>> C :: 176.630 CA :: 55.105 CB :: 33.156 CG :: 24.331 CD :: 29.221 CE :: 41.990 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 :: 8.988 HA :: 4.648 HB2 :: 1.774 HB3 :: 1.774 HG2 :: 1.331 HG3 :: 1.331 HD2 :: 1.648 HD3 :: 1.648 HE2 :: 2.950 HE3 :: 2.950 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 128.372 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.39 R 0.27 C 0.27 G 0.03 K 0.02 C Shift Assignments>> C :: 177.124 CA :: 55.519 CB :: 42.697 CG :: 28.160 CD1 :: 26.278 CD2 :: 23.920 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.876 HA :: 4.530 HB2 :: 1.762 HB3 :: 1.651 HG :: 1.878 HD11 :: 1.156 HD12 :: 1.156 HD13 :: 1.156 HD21 :: 0.979 HD22 :: 0.979 HD23 :: 0.979 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 128.898 Ave N Shift Values>> N :: 121.98(4.07) 1.E39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.34 C 0.32 I 0.12 K 0.09 Q 0.05 M 0.05 HN Overlap>> 1.A130 1.A130 1.L94 1.L94 C Shift Assignments>> C :: 176.388 CA :: 58.887 CB :: 29.858 CG :: 35.951 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.325 HA :: 4.104 HB2 :: 2.079 HB3 :: 1.945 HG2 :: 2.252 HG3 :: 2.156 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 :: 123.129 Ave N Shift Values>> N :: 120.68(3.68) 1.D40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.23 C 0.12 N 0.09 K 0.08 R 0.07 F 0.03 Y 0.02 G 0.02 HN Overlap>> 1.L20 1.L20 1.E52 1.E52 C Shift Assignments>> C :: 177.415 CA :: 51.949 CB :: 42.195 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 :: 8.186 HA :: 4.912 HB2 :: 2.952 HB3 :: 2.605 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 :: 116.972 Ave N Shift Values>> N :: 120.73(4.2) 1.V41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.85 C 0.14 HN Overlap>> 1.H85 1.H85 C Shift Assignments>> C :: 177.051 CA :: 64.432 CB :: 31.435 CG1 :: 20.900 CG2 :: 19.256 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 :: 8.579 HA :: 4.038 HB :: 2.353 HG11 :: 1.103 HG12 :: 1.103 HG13 :: 1.103 HG21 :: 1.017 HG22 :: 1.017 HG23 :: 1.017 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 :: 121.230 Ave N Shift Values>> N :: 121.02(4.96) 1.N42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.39 D 0.23 C 0.14 Y 0.08 F 0.07 L 0.05 C Shift Assignments>> C :: 175.528 CA :: 53.262 CB :: 39.209 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 :: 8.682 HA :: 5.021 HB2 :: 2.949 HB3 :: 2.782 HD21 :: 7.972 HD22 :: 7.051 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 :: 118.296 ND2 :: 116.117 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.A43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.53 A 0.19 C 0.07 V 0.07 L 0.04 T 0.04 I 0.03 C Shift Assignments>> C :: 179.949 CA :: 56.339 CB :: 19.935 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.137 HA :: 4.147 HB1 :: 1.687 HB2 :: 1.687 HB3 :: 1.687 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.192 Ave N Shift Values>> N :: 123.23(3.7) 1.L44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.65 L 0.33 C Shift Assignments>> C :: 179.899 CA :: 57.918 CB :: 39.169 CG :: 27.892 CD1 :: 25.781 CD2 :: 23.567 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 :: 8.358 HA :: 4.167 HB2 :: 1.949 HB3 :: 1.537 HG :: 1.880 HD11 :: 1.079 HD12 :: 1.079 HD13 :: 1.079 HD21 :: 0.923 HD22 :: 0.923 HD23 :: 0.923 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 :: 113.582 Ave N Shift Values>> N :: 121.98(4.07) 1.T45 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 :: 176.513 CA :: 66.161 CB :: 68.498 CG2 :: 22.205 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 :: 7.915 HA :: 3.873 HB :: 4.173 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 :: 117.608 Ave N Shift Values>> N :: 115.7(5.05) 1.N46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 Y 0.2 E 0.15 F 0.13 N 0.1 D 0.04 I 0.04 M 0.03 L 0.01 K 0.01 C Shift Assignments>> C :: 178.077 CA :: 56.181 CB :: 37.676 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 :: 8.421 HA :: 4.560 HB2 :: 2.971 HB3 :: 2.425 HD21 :: 7.778 HD22 :: 7.210 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 :: 118.990 ND2 :: 113.300 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.I47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.91 C 0.07 HN Overlap>> 1.A57 1.A57 C Shift Assignments>> CA :: 66.360 CB :: 38.145 CG1 :: 30.504 CG2 :: 19.041 CD1 :: 14.321 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 :: 7.922 HA :: 3.739 HB :: 2.150 HG12 :: 2.007 HG13 :: 1.183 HG21 :: 1.078 HG22 :: 1.078 HG23 :: 1.078 HD11 :: 1.046 HD12 :: 1.046 HD13 :: 1.046 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 :: 121.459 Ave N Shift Values>> N :: 121.6(4.72) 1.K48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 K 0.31 R 0.26 G 0.01 C Shift Assignments>> CA :: 60.763 CB :: 32.160 CG :: 26.075 CD :: 29.633 CE :: 42.203 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 :: 8.286 HA :: 3.948 HB2 :: 2.041 HB3 :: 1.973 HG2 :: 1.633 HG3 :: 1.466 HD2 :: 1.696 HD3 :: 1.696 HE2 :: 2.980 HE3 :: 2.925 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 120.903 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.R49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.42 C 0.37 K 0.1 G 0.09 C Shift Assignments>> C :: 178.980 CA :: 59.329 CB :: 30.841 CG :: 27.919 CD :: 43.510 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 :: 8.336 HA :: 4.116 HB2 :: 1.873 HB3 :: 1.822 HG2 :: 1.957 HG3 :: 1.714 HD2 :: 3.234 HD3 :: 3.143 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 :: 116.819 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.Y50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.64 C 0.35 C Shift Assignments>> C :: 178.941 CA :: 61.065 CB :: 38.918 CD1 :: 133.528 CD2 :: 133.528 CE1 :: 118.173 CE2 :: 118.173 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 :: 8.021 HA :: 4.637 HB2 :: 3.340 HB3 :: 3.003 HD1 :: 6.916 HD2 :: 6.916 HE1 :: 6.583 HE2 :: 6.583 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 121.994 Ave N Shift Values>> N :: 120.79(4.69) 1.L51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 C 0.38 R 0.05 C Shift Assignments>> C :: 179.520 CA :: 57.923 CB :: 41.278 CG :: 26.753 CD1 :: 26.293 CD2 :: 23.489 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 :: 8.727 HA :: 3.826 HB2 :: 2.131 HB3 :: 1.551 HG :: 2.128 HD11 :: 0.924 HD12 :: 0.924 HD13 :: 0.924 HD21 :: 1.121 HD22 :: 1.121 HD23 :: 1.121 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.412 Ave N Shift Values>> N :: 121.98(4.07) 1.E52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.36 M 0.08 I 0.06 K 0.06 Q 0.02 HN Overlap>> 1.L20 1.D40 1.L20 1.D40 C Shift Assignments>> C :: 177.036 CA :: 56.885 CB :: 30.175 CG :: 36.599 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 :: 8.189 HA :: 4.240 HB2 :: 2.159 HB3 :: 2.159 HG2 :: 2.476 HG3 :: 2.439 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 :: 116.915 Ave N Shift Values>> N :: 120.68(3.68) 1.G53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.76 L 0.09 C 0.08 R 0.03 C Shift Assignments>> C :: 174.892 CA :: 45.263 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.603 HA2 :: 4.217 HA3 :: 3.972 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.615 Ave N Shift Values>> N :: 109.91(4.29) 1.T54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.91 C 0.07 C Shift Assignments>> C :: 174.183 CA :: 62.141 CB :: 68.721 CG2 :: 22.065 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 :: 8.180 HA :: 4.315 HB :: 4.377 HG21 :: 1.178 HG22 :: 1.178 HG23 :: 1.178 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 :: 111.229 Ave N Shift Values>> N :: 115.7(5.05) 1.R55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 G 0.28 R 0.22 K 0.05 C Shift Assignments>> C :: 174.919 CA :: 54.911 CB :: 33.200 CG :: 27.925 CD :: 44.334 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 :: 7.130 HA :: 4.574 HB2 :: 1.748 HB3 :: 1.485 HG2 :: 1.790 HG3 :: 1.750 HD2 :: 3.399 HD3 :: 3.159 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 121.576 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.E56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> E 0.37 C 0.36 M 0.1 I 0.08 K 0.04 Q 0.02 C Shift Assignments>> CA :: 58.038 CB :: 30.738 CG :: 36.363 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>> HA :: 4.199 HB2 :: 2.059 HB3 :: 2.005 HG2 :: 2.221 HG3 :: 2.221 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) 1.A57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.82 M 0.13 C 0.02 HN Overlap>> 1.I47 1.I47 C Shift Assignments>> CA :: 51.600 CB :: 19.633 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.873 HA :: 4.359 HB1 :: 1.323 HB2 :: 1.323 HB3 :: 1.323 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.555 Ave N Shift Values>> N :: 123.23(3.7) 1.L58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.75 C 0.2 R 0.01 A 0.01 C Shift Assignments>> CA :: 53.250 CB :: 41.729 CG :: 26.747 CD1 :: 24.653 CD2 :: 24.175 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 :: 8.360 HA :: 3.479 HB2 :: 1.382 HB3 :: 1.148 HG :: 1.437 HD11 :: 0.601 HD12 :: 0.601 HD13 :: 0.601 HD21 :: 0.416 HD22 :: 0.416 HD23 :: 0.416 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 :: 123.482 Ave N Shift Values>> N :: 121.98(4.07) 1.P59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.54 P 0.44 C Shift Assignments>> CA :: 60.891 CB :: 30.522 CG :: 27.476 CD :: 49.256 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 :: 4.620 HB2 :: 2.193 HB3 :: 1.871 HG2 :: 1.879 HG3 :: 1.620 HD2 :: 2.818 HD3 :: 2.753 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.P60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.77 C 0.22 C Shift Assignments>> C :: 176.039 CA :: 62.741 CB :: 32.137 CG :: 27.874 CD :: 50.194 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 :: 4.518 HB2 :: 2.421 HB3 :: 1.921 HG2 :: 2.114 HG3 :: 2.052 HD2 :: 3.684 HD3 :: 3.586 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.K61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.38 R 0.11 M 0.07 C Shift Assignments>> C :: 177.323 CA :: 56.054 CB :: 31.910 CG :: 24.016 CD :: 29.527 CE :: 41.279 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 :: 8.072 HA :: 4.198 HB2 :: 1.658 HB3 :: 1.381 HG2 :: 1.080 HG3 :: 1.025 HD2 :: 1.491 HD3 :: 1.251 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 :: 119.762 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.I62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.91 C 0.08 C Shift Assignments>> C :: 174.331 CA :: 65.198 CB :: 37.758 CG1 :: 29.809 CG2 :: 18.559 CD1 :: 13.400 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 :: 9.285 HA :: 3.580 HB :: 2.008 HG12 :: 1.951 HG13 :: 0.789 HG21 :: 1.114 HG22 :: 1.114 HG23 :: 1.114 HD11 :: 1.097 HD12 :: 1.097 HD13 :: 1.097 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 124.365 Ave N Shift Values>> N :: 121.6(4.72) 1.E63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.69 M 0.17 E 0.12 C Shift Assignments>> C :: 175.639 CA :: 54.640 CB :: 33.602 CG :: 37.022 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 :: 7.161 HA :: 5.474 HB2 :: 2.001 HB3 :: 1.893 HG2 :: 2.242 HG3 :: 2.122 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 :: 125.926 Ave N Shift Values>> N :: 120.68(3.68) 1.F64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.64 C 0.34 C Shift Assignments>> C :: 171.587 CA :: 56.022 CB :: 41.732 CD1 :: 132.210 CD2 :: 132.210 CE1 :: 130.722 CE2 :: 130.722 CZ :: 128.956 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 :: 8.943 HA :: 5.372 HB2 :: 3.244 HB3 :: 2.723 HD1 :: 6.740 HD2 :: 6.740 HE1 :: 7.040 HE2 :: 7.040 HZ :: 6.877 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 120.243 Ave N Shift Values>> N :: 120.69(4.18) 1.V65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 V 0.42 C Shift Assignments>> C :: 175.509 CA :: 60.250 CB :: 35.653 CG1 :: 21.135 CG2 :: 22.057 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 :: 8.352 HA :: 5.154 HB :: 1.846 HG11 :: 0.754 HG12 :: 0.754 HG13 :: 0.754 HG21 :: 0.906 HG22 :: 0.906 HG23 :: 0.906 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 :: 118.626 Ave N Shift Values>> N :: 121.02(4.96) 1.I66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 I 0.46 HN Overlap>> 1.D78 1.D78 C Shift Assignments>> C :: 174.822 CA :: 58.890 CB :: 41.731 CG1 :: 27.925 CG2 :: 16.446 CD1 :: 14.791 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 :: 9.001 HA :: 5.127 HB :: 1.538 HG12 :: 1.620 HG13 :: 0.830 HG21 :: 0.520 HG22 :: 0.520 HG23 :: 0.520 HD11 :: 0.548 HD12 :: 0.548 HD13 :: 0.548 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 :: 126.913 Ave N Shift Values>> N :: 121.6(4.72) 1.T67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.93 C 0.06 C Shift Assignments>> C :: 173.268 CA :: 62.493 CB :: 69.604 CG2 :: 21.839 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 :: 8.797 HA :: 4.879 HB :: 3.936 HG21 :: 1.179 HG22 :: 1.179 HG23 :: 1.179 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 125.851 Ave N Shift Values>> N :: 115.7(5.05) 1.L68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.48 L 0.23 C 0.22 R 0.04 C Shift Assignments>> C :: 175.168 CA :: 53.320 CB :: 44.561 CD1 :: 26.865 CD2 :: 25.816 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 :: 9.339 HA :: 4.569 HB2 :: 1.669 HB3 :: 1.463 HD11 :: 0.916 HD12 :: 0.916 HD13 :: 0.916 HD21 :: 0.822 HD22 :: 0.822 HD23 :: 0.822 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 128.610 Ave N Shift Values>> N :: 121.98(4.07) 1.Q69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.27 C 0.24 K 0.19 M 0.12 E 0.12 R 0.02 C Shift Assignments>> C :: 175.068 CA :: 54.542 CB :: 29.797 CG :: 34.138 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 :: 8.864 HA :: 4.608 HB2 :: 2.156 HB3 :: 1.917 HG2 :: 2.239 HG3 :: 1.991 HE21 :: 7.643 HE22 :: 6.789 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 122.843 NE2 :: 114.456 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.I70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.75 I 0.22 A 0.01 C Shift Assignments>> C :: 176.396 CA :: 58.859 CB :: 35.776 CG1 :: 27.222 CG2 :: 18.067 CD1 :: 9.884 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 :: 8.929 HA :: 4.355 HB :: 2.186 HG12 :: 1.374 HG13 :: 1.173 HG21 :: 0.960 HG22 :: 0.960 HG23 :: 0.960 HD11 :: 0.577 HD12 :: 0.577 HD13 :: 0.577 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 130.348 Ave N Shift Values>> N :: 121.6(4.72) 1.E71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.34 M 0.09 I 0.08 K 0.06 Q 0.04 C Shift Assignments>> C :: 176.279 CA :: 58.266 CB :: 30.454 CG :: 36.116 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 :: 8.362 HA :: 4.179 HB2 :: 2.032 HB3 :: 1.943 HG2 :: 2.299 HG3 :: 2.212 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 :: 124.406 Ave N Shift Values>> N :: 120.68(3.68) 1.E72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 M 0.34 E 0.16 Q 0.03 K 0.01 C Shift Assignments>> CA :: 53.015 CB :: 32.109 CG :: 35.810 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 :: 7.544 HA :: 4.432 HB2 :: 1.855 HB3 :: 1.855 HG2 :: 2.138 HG3 :: 2.010 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 :: 118.992 Ave N Shift Values>> N :: 120.68(3.68) 1.P73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.81 P 0.14 G 0.03 C Shift Assignments>> C :: 173.372 CA :: 63.079 CB :: 33.786 CG :: 24.171 CD :: 48.886 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 :: 4.602 HB2 :: 2.207 HB3 :: 1.705 HG2 :: 1.575 HG3 :: 1.257 HD2 :: 3.268 HD3 :: 3.191 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.K74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.35 C 0.31 R 0.28 M 0.02 G 0.01 C Shift Assignments>> C :: 175.610 CA :: 55.609 CB :: 30.496 CG :: 24.825 CD :: 29.237 CE :: 42.208 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 :: 7.901 HA :: 4.503 HB2 :: 1.775 HB3 :: 1.603 HG2 :: 1.372 HG3 :: 1.372 HD2 :: 1.725 HD3 :: 1.725 HE2 :: 3.000 HE3 :: 3.000 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 117.069 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.V75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.87 V 0.08 I 0.03 C Shift Assignments>> C :: 172.918 CA :: 59.344 CB :: 35.887 CG1 :: 20.901 CG2 :: 17.608 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 :: 7.588 HA :: 4.466 HB :: 1.690 HG11 :: 0.366 HG12 :: 0.366 HG13 :: 0.366 HG21 :: -0.048 HG22 :: -0.048 HG23 :: -0.048 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 :: 123.054 Ave N Shift Values>> N :: 121.02(4.96) 1.K76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.38 C 0.36 R 0.22 M 0.01 G 0.01 C Shift Assignments>> C :: 176.463 CA :: 54.681 CB :: 34.974 CG :: 25.347 CD :: 29.355 CE :: 42.109 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 :: 8.352 HA :: 5.352 HB2 :: 1.656 HB3 :: 1.656 HG2 :: 1.416 HG3 :: 1.172 HD2 :: 1.579 HD3 :: 1.579 HE2 :: 2.940 HE3 :: 2.940 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 120.773 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.I77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 I 0.39 G 0.05 C Shift Assignments>> C :: 173.447 CA :: 59.587 CB :: 42.560 CG1 :: 28.300 CG2 :: 16.201 CD1 :: 14.581 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 :: 8.879 HA :: 4.591 HB :: 1.637 HG12 :: 1.573 HG13 :: 0.989 HG21 :: 0.768 HG22 :: 0.768 HG23 :: 0.768 HD11 :: 0.895 HD12 :: 0.895 HD13 :: 0.895 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 123.340 Ave N Shift Values>> N :: 121.6(4.72) 1.D78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.21 K 0.11 C 0.1 N 0.1 R 0.05 F 0.05 Y 0.04 HN Overlap>> 1.I66 1.I66 C Shift Assignments>> C :: 174.459 CA :: 53.175 CB :: 41.686 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 :: 8.917 HA :: 5.248 HB2 :: 2.606 HB3 :: 2.264 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 :: 126.874 Ave N Shift Values>> N :: 120.73(4.2) 1.L79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 C 0.19 G 0.17 A 0.06 R 0.04 C Shift Assignments>> C :: 173.316 CA :: 53.324 CB :: 43.639 CG :: 26.519 CD1 :: 23.011 CD2 :: 25.367 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 :: 9.521 HA :: 4.769 HB2 :: 2.094 HB3 :: 0.860 HG :: 1.204 HD11 :: 0.639 HD12 :: 0.639 HD13 :: 0.639 HD21 :: 0.625 HD22 :: 0.625 HD23 :: 0.625 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 128.038 Ave N Shift Values>> N :: 121.98(4.07) 1.Q80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.27 K 0.24 C 0.24 M 0.09 E 0.08 R 0.05 C Shift Assignments>> C :: 174.818 CA :: 55.229 CB :: 29.440 CG :: 33.530 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 :: 9.193 HA :: 4.681 HB2 :: 2.220 HB3 :: 1.988 HG2 :: 2.216 HG3 :: 2.216 HE21 :: 7.198 HE22 :: 6.586 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 :: 129.461 NE2 :: 111.088 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.V81 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.53 C 0.46 C Shift Assignments>> C :: 174.275 CA :: 61.047 CB :: 33.436 CG1 :: 23.439 CG2 :: 20.417 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 :: 8.847 HA :: 4.270 HB :: 0.059(S) HG11 :: 0.383 HG12 :: 0.383 HG13 :: 0.383 HG21 :: 0.348 HG22 :: 0.348 HG23 :: 0.348 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 :: 127.454 Ave N Shift Values>> N :: 121.02(4.96) 1.T82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 HN Overlap>> 1.L26 1.L26 C Shift Assignments>> C :: 173.162 CA :: 61.964 CB :: 70.835 CG2 :: 21.362 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 :: 8.506 HA :: 4.692 HB :: 3.835 HG21 :: 0.957 HG22 :: 0.957 HG23 :: 0.957 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 :: 122.573 Ave N Shift Values>> N :: 115.7(5.05) 1.M83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.55 M 0.23 C 0.2 C Shift Assignments>> CA :: 52.396 CB :: 32.490 CG :: 33.615 CE :: 19.277 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 :: 8.676 HA :: 4.509 HB2 :: 1.667 HB3 :: 1.988 HG2 :: 2.103 HG3 :: 1.551 HE1 :: 2.056 HE2 :: 2.056 HE3 :: 2.056 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 :: 125.543 Ave N Shift Values>> N :: 120.1(3.88) 1.P84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.74 C 0.25 C Shift Assignments>> CA :: 62.618 CB :: 31.944 CG :: 27.457 CD :: 51.318 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 :: 4.271 HB2 :: 1.844 HB3 :: 2.409 HG2 :: 2.046 HG3 :: 1.999 HD2 :: 3.949 HD3 :: 3.525 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.H85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 H 0.27 W 0.22 HN Overlap>> 1.V41 1.V41 C Shift Assignments>> CA :: 60.864 CB :: 31.207 CD2 :: 117.567 CE1 :: 138.690 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 :: 8.612 HA :: 4.378 HB2 :: 3.110 HB3 :: 3.049 HD2 :: 7.291 HE1 :: 7.722 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 :: 121.285 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.S86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 58.862 CB :: 63.992 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.774 HA :: 4.703 HB2 :: 4.123 HB3 :: 3.817 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 :: 104.067 Ave N Shift Values>> N :: 116.3(3.95) 1.Y87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 Y 0.43 H 0.01 C Shift Assignments>> CA :: 57.226 CB :: 37.439 CD1 :: 134.103 CD2 :: 134.157 CE1 :: 118.149 CE2 :: 119.579 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 7.789 HA :: 5.133 HB2 :: 3.100 HB3 :: 2.969 HD1 :: 7.004 HD2 :: 7.760 HE1 :: 7.178 HE2 :: 6.942 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 :: 126.512 Ave N Shift Values>> N :: 120.79(4.69) 1.P88 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.54 C 0.44 C Shift Assignments>> C :: 177.247 CA :: 63.015 CB :: 32.855 CG :: 24.885 CD :: 49.491 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 :: 4.347 HB2 :: 1.475 HB3 :: 0.592(S) HG2 :: 1.284 HG3 :: 0.595(S) HD2 :: 3.012 HD3 :: 3.012 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.Y89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.6 C 0.39 C Shift Assignments>> C :: 174.801 CA :: 61.729 CB :: 36.652 CD1 :: 132.551 CD2 :: 132.551 CE1 :: 118.407 CE2 :: 118.407 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 9.197 HA :: 4.164 HB2 :: 3.285 HB3 :: 3.050 HD1 :: 7.056 HD2 :: 7.056 HE1 :: 6.670 HE2 :: 6.670 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 129.747 Ave N Shift Values>> N :: 120.79(4.69) 1.L90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.44 L 0.36 C 0.16 R 0.01 A 0.01 C Shift Assignments>> C :: 175.356 CA :: 53.571 CB :: 45.026 CG :: 27.240 CD1 :: 25.073 CD2 :: 23.940 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 :: 7.077 HA :: 4.503 HB2 :: 1.602 HB3 :: 1.286 HG :: 1.656 HD11 :: 0.971 HD12 :: 0.971 HD13 :: 0.971 HD21 :: 0.977 HD22 :: 0.977 HD23 :: 0.977 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 :: 119.152 Ave N Shift Values>> N :: 121.98(4.07) 1.A91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.72 M 0.2 C 0.03 L 0.02 HN Overlap>> 1.L21 1.L21 C Shift Assignments>> C :: 178.156 CA :: 52.670 CB :: 19.976 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.671 HA :: 4.509 HB1 :: 1.401 HB2 :: 1.401 HB3 :: 1.401 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.445 Ave N Shift Values>> N :: 123.23(3.7) 1.L92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.61 C 0.26 R 0.07 G 0.02 A 0.02 C Shift Assignments>> C :: 175.326 CA :: 53.813 CB :: 42.227 CG :: 26.285 CD1 :: 23.933 CD2 :: 26.538 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 :: 8.106 HA :: 4.034 HB2 :: 1.536 HB3 :: 1.129 HG :: 1.513 HD11 :: 0.314 HD12 :: 0.314 HD13 :: 0.314 HD21 :: 0.323 HD22 :: 0.323 HD23 :: 0.323 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 117.476 Ave N Shift Values>> N :: 121.98(4.07) 1.Q93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.26 C 0.24 M 0.18 K 0.17 E 0.1 R 0.02 C Shift Assignments>> C :: 174.134 CA :: 55.133 CB :: 30.262 CG :: 33.764 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.654 HA :: 4.514 HB2 :: 1.940 HB3 :: 1.940 HG2 :: 2.255 HG3 :: 2.181 HE21 :: 7.379 HE22 :: 6.574 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 :: 118.794 NE2 :: 111.208 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.L94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.57 C 0.24 L 0.17 HN Overlap>> 1.E39 1.E39 C Shift Assignments>> C :: 176.493 CA :: 53.344 CB :: 45.964 CG :: 26.516 CD1 :: 26.997 CD2 :: 25.651 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 :: 8.338 HA :: 5.343 HB2 :: 1.562 HB3 :: 1.220 HG :: 1.347 HD11 :: 0.673 HD12 :: 0.673 HD13 :: 0.673 HD21 :: 0.754 HD22 :: 0.754 HD23 :: 0.754 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 :: 123.054 Ave N Shift Values>> N :: 121.98(4.07) 1.F95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.5 C 0.27 Y 0.2 G 0.02 HN Overlap>> 1.L16 1.L16 C Shift Assignments>> C :: 173.939 CA :: 57.944 CB :: 42.356 CD1 :: 131.522 CD2 :: 131.522 CE1 :: 131.300 CE2 :: 131.300 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 :: 8.659 HA :: 4.500 HB2 :: 2.906 HB3 :: 2.906 HD1 :: 7.052 HD2 :: 7.052 HE1 :: 7.206 HE2 :: 7.206 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 :: 121.518 Ave N Shift Values>> N :: 120.69(4.18) 1.G96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.32 L 0.27 G 0.16 C 0.09 D 0.04 F 0.03 K 0.02 Y 0.02 C Shift Assignments>> CA :: 43.768 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 10.014 HA2 :: 5.025 HA3 :: 2.724 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 117.067 Ave N Shift Values>> N :: 109.91(4.29) 1.R97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 R 0.21 K 0.14 G 0.14 C Shift Assignments>> CA :: 54.494 CB :: 34.054 CG :: 27.222 CD :: 43.506 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 :: 8.660 HA :: 4.620 HB2 :: 1.734 HB3 :: 1.734 HG2 :: 1.639 HG3 :: 1.549 HD2 :: 3.178 HD3 :: 3.178 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 120.598 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.S98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.94 T 0.05 C Shift Assignments>> CA :: 57.214 CB :: 65.960 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.213 HA :: 4.906 HB2 :: 4.226 HB3 :: 3.405 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 :: 114.067 Ave N Shift Values>> N :: 116.3(3.95) 1.S99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 174.976 CA :: 60.659 CB :: 62.916 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> HA :: 4.472 HB2 :: 4.080 HB3 :: 3.990 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.E100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 E 0.38 I 0.1 M 0.05 K 0.04 C Shift Assignments>> C :: 175.519 CA :: 56.827 CB :: 30.035 CG :: 37.311 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.174 HA :: 4.440 HB2 :: 2.494 HB3 :: 2.019 HG2 :: 2.337 HG3 :: 2.337 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 :: 118.780 Ave N Shift Values>> N :: 120.68(3.68) 1.L101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.48 G 0.3 C 0.15 A 0.03 R 0.01 C Shift Assignments>> C :: 176.748 CA :: 53.327 CB :: 44.316 CG :: 26.313 CD1 :: 25.355 CD2 :: 23.365 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 :: 7.163 HA :: 4.537 HB2 :: 1.662 HB3 :: 1.440 HG :: 1.292 HD11 :: 0.436 HD12 :: 0.436 HD13 :: 0.436 HD21 :: 0.043 HD22 :: 0.043 HD23 :: 0.043 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 :: 118.679 Ave N Shift Values>> N :: 121.98(4.07) 1.D102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.21 K 0.11 C 0.1 N 0.09 R 0.05 F 0.05 Y 0.04 C Shift Assignments>> C :: 176.319 CA :: 53.184 CB :: 41.706 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 :: 8.535 HA :: 4.663 HB2 :: 3.109 HB3 :: 2.704 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 122.755 Ave N Shift Values>> N :: 120.73(4.2) 1.R103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.37 G 0.09 K 0.06 HN Overlap>> 1.N32 1.N32 C Shift Assignments>> C :: 178.673 CA :: 59.805 CB :: 30.045 CG :: 26.753 CD :: 43.402 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 :: 8.586 HA :: 4.011 HB2 :: 1.922 HB3 :: 1.813 HG2 :: 1.591 HG3 :: 1.591 HD2 :: 3.222 HD3 :: 3.222 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 119.227 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.H104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.4 C 0.3 H 0.29 C Shift Assignments>> C :: 178.198 CA :: 59.570 CB :: 30.496 CD2 :: 119.701 CE1 :: 138.594 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 :: 8.286 HA :: 4.441 HB2 :: 3.295 HB3 :: 3.258 HD2 :: 7.080 HE1 :: 7.822 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 :: 120.171 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.Q105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 Q 0.22 E 0.18 K 0.18 M 0.08 I 0.02 R 0.02 C Shift Assignments>> C :: 178.541 CA :: 58.389 CB :: 29.801 CG :: 34.254 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 :: 8.614 HA :: 4.143 HB2 :: 2.262 HB3 :: 2.164 HG2 :: 2.799 HG3 :: 2.648 HE21 :: 7.653 HE22 :: 6.726 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 :: 119.041 NE2 :: 110.087 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.Q106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.32 I 0.2 K 0.06 Q 0.03 M 0.03 C Shift Assignments>> C :: 178.605 CA :: 60.042 CB :: 29.853 CG :: 36.000 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 :: 8.677 HA :: 3.781 HB2 :: 2.212 HB3 :: 2.116 HG2 :: 2.267 HG3 :: 2.082 HE21 :: 7.639 HE22 :: 7.031 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 :: 118.447 NE2 :: 112.123 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.L107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 C 0.38 R 0.05 C Shift Assignments>> C :: 179.941 CA :: 58.785 CB :: 41.514 CG :: 27.209 CD1 :: 25.100 CD2 :: 24.257 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 :: 7.822 HA :: 4.257 HB2 :: 1.960 HB3 :: 1.870 HG :: 1.760 HD11 :: 1.023 HD12 :: 1.023 HD13 :: 1.023 HD21 :: 0.988 HD22 :: 0.988 HD23 :: 0.988 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 :: 122.743 Ave N Shift Values>> N :: 121.98(4.07) 1.L108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 C 0.4 R 0.03 C Shift Assignments>> C :: 179.551 CA :: 58.180 CB :: 41.299 CG :: 26.532 CD1 :: 25.347 CD2 :: 22.435 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 :: 7.942 HA :: 4.008 HB2 :: 2.090 HB3 :: 1.696 HG :: 1.740 HD11 :: 0.962 HD12 :: 0.962 HD13 :: 0.962 HD21 :: 0.914 HD22 :: 0.914 HD23 :: 0.914 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.218 Ave N Shift Values>> N :: 121.98(4.07) 1.L109 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 C Shift Assignments>> C :: 177.893 CA :: 58.772 CB :: 41.748 CG :: 26.741 CD1 :: 25.816 CD2 :: 24.652 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 :: 8.482 HA :: 2.853 HB2 :: 1.536 HB3 :: 0.993 HG :: 1.245 HD11 :: 0.670 HD12 :: 0.670 HD13 :: 0.670 HD21 :: 0.553 HD22 :: 0.553 HD23 :: 0.553 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 124.326 Ave N Shift Values>> N :: 121.98(4.07) 1.N110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.26 F 0.25 C 0.2 I 0.09 D 0.06 L 0.05 N 0.02 E 0.02 K 0.01 C Shift Assignments>> C :: 177.486 CA :: 57.733 CB :: 39.428 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 :: 7.661 HA :: 4.232 HB2 :: 2.679 HB3 :: 2.679 HD21 :: 7.980 HD22 :: 7.161 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 :: 116.344 ND2 :: 116.695 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.K111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.38 R 0.18 M 0.02 G 0.01 C Shift Assignments>> C :: 179.769 CA :: 59.805 CB :: 32.359 CG :: 25.136 CD :: 29.652 CE :: 42.050 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 :: 8.466 HA :: 4.090 HB2 :: 1.975 HB3 :: 1.975 HG2 :: 1.612 HG3 :: 1.461 HD2 :: 1.696 HD3 :: 1.696 HE2 :: 2.988 HE3 :: 2.988 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 :: 123.137 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.G112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.64 C 0.24 P 0.03 L 0.02 A 0.02 N 0.01 C Shift Assignments>> C :: 175.632 CA :: 47.471 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.272 HA2 :: 3.884 HA3 :: 3.884 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.697 Ave N Shift Values>> N :: 109.91(4.29) 1.L113 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.47 L 0.39 K 0.08 A 0.01 G 0.01 C Shift Assignments>> C :: 177.810 CA :: 57.422 CB :: 41.964 CD1 :: 22.312 CD2 :: 26.050 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 :: 8.231 HA :: 2.525(S) HB2 :: 1.658 HB3 :: 1.155 HG :: 1.137 HD11 :: 0.773 HD12 :: 0.773 HD13 :: 0.773 HD21 :: 0.710 HD22 :: 0.710 HD23 :: 0.710 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 :: 125.815 Ave N Shift Values>> N :: 121.98(4.07) 1.T114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 177.702 CA :: 67.392 CB :: 68.577 CG2 :: 21.363 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 :: 8.384 HA :: 3.688 HB :: 4.261 HG21 :: 1.240 HG22 :: 1.240 HG23 :: 1.240 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 :: 114.072 Ave N Shift Values>> N :: 115.7(5.05) 1.S115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 62.149 CB :: 62.618 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.037 HA :: 4.198 HB2 :: 4.029 HB3 :: 3.943 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 118.234 Ave N Shift Values>> N :: 116.3(3.95) 1.Y116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.59 C 0.4 C Shift Assignments>> CA :: 60.730 CB :: 37.667 CD1 :: 133.353 CD2 :: 133.353 CE1 :: 118.540 CE2 :: 118.540 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 7.661 HA :: 4.417 HB2 :: 2.811 HB3 :: 2.380 HD1 :: 6.849 HD2 :: 6.849 HE1 :: 6.858 HE2 :: 6.858 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 :: 122.182 Ave N Shift Values>> N :: 120.79(4.69) 1.I117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.53 C 0.46 C Shift Assignments>> C :: 178.408 CA :: 61.433 CB :: 36.104 CG1 :: 27.831 CG2 :: 18.326 CD1 :: 10.579 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 :: 8.318 HA :: 3.730 HB :: 2.007 HG12 :: 1.616 HG13 :: 1.247 HG21 :: 0.903 HG22 :: 0.903 HG23 :: 0.903 HD11 :: 0.548 HD12 :: 0.548 HD13 :: 0.548 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 :: 121.197 Ave N Shift Values>> N :: 121.6(4.72) 1.G118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.11 L 0.05 C Shift Assignments>> C :: 174.465 CA :: 46.207 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.878 HA2 :: 4.234 HA3 :: 3.886 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.948 Ave N Shift Values>> N :: 109.91(4.29) 1.T119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.95 C 0.04 C Shift Assignments>> C :: 174.880 CA :: 62.630 CB :: 70.562 CG2 :: 21.140 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 :: 7.698 HA :: 4.347 HB :: 4.272 HG21 :: 1.389 HG22 :: 1.389 HG23 :: 1.389 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 :: 109.788 Ave N Shift Values>> N :: 115.7(5.05) 1.F120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.58 C 0.41 C Shift Assignments>> C :: 176.024 CA :: 58.632 CB :: 39.190 CD1 :: 131.760 CD2 :: 131.760 CE1 :: 130.681 CE2 :: 130.681 CZ :: 129.562 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 :: 7.448 HA :: 4.255 HB2 :: 3.105 HB3 :: 2.830 HD1 :: 7.231 HD2 :: 7.231 HE1 :: 6.688 HE2 :: 6.688 HZ :: 7.175 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 :: 123.019 Ave N Shift Values>> N :: 120.69(4.18) 1.D121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.31 D 0.29 C 0.13 L 0.08 F 0.07 Y 0.07 K 0.01 C Shift Assignments>> C :: 174.142 CA :: 53.184 CB :: 39.880 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 :: 9.015 HA :: 4.799 HB2 :: 2.678 HB3 :: 2.467 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 :: 124.075 Ave N Shift Values>> N :: 120.73(4.2) 1.P122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.86 C 0.13 C Shift Assignments>> CA :: 64.024 CB :: 31.910 CG :: 28.066 CD :: 50.552 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 :: 4.375 HB2 :: 2.578 HB3 :: 1.992 HG2 :: 2.244 HG3 :: 2.175 HD2 :: 3.984 HD3 :: 3.656 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.G123 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.48 L 0.19 R 0.15 C 0.1 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> CA :: 44.552 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.964 HA2 :: 4.200 HA3 :: 2.239(S) Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.255 Ave N Shift Values>> N :: 109.91(4.29) 1.E124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.39 C 0.39 M 0.11 K 0.04 I 0.04 Q 0.01 C Shift Assignments>> CA :: 55.779 CB :: 30.504 CG :: 36.820 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.378 HA :: 4.302 HB2 :: 2.117 HB3 :: 2.036 HG2 :: 2.437 HG3 :: 2.132 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 :: 118.076 Ave N Shift Values>> N :: 120.68(3.68) 1.L125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 L 0.4 A 0.18 C Shift Assignments>> CA :: 55.178 CB :: 40.127 CG :: 26.519 CD1 :: 25.347 CD2 :: 21.362 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 :: 8.406 HA :: 4.416 HB2 :: 1.807 HB3 :: 1.697 HG :: 1.755 HD11 :: 0.918 HD12 :: 0.918 HD13 :: 0.918 HD21 :: 0.728 HD22 :: 0.728 HD23 :: 0.728 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 :: 123.884 Ave N Shift Values>> N :: 121.98(4.07) 1.C126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.21 C 0.18 W 0.13 R 0.08 P 0.07 E 0.07 K 0.06 I 0.06 M 0.04 H 0.04 Q 0.02 C Shift Assignments>> CA :: 60.569 CB :: 31.676 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.984 HA :: 4.623 HB2 :: 2.595 HB3 :: 2.469 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 118.663 Ave N Shift Values>> N :: 119.95(4.79) 1.V127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.87 C 0.12 C Shift Assignments>> C :: 178.322 CA :: 69.181 CB :: 30.980 CG1 :: 24.867 CG2 :: 23.237 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 10.035 HA :: 3.359 HB :: 2.178 HG11 :: 0.986 HG12 :: 0.986 HG13 :: 0.986 HG21 :: 0.963 HG22 :: 0.963 HG23 :: 0.963 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 :: 124.379 Ave N Shift Values>> N :: 121.02(4.96) 1.C128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.46 P 0.42 C 0.05 V 0.03 C Shift Assignments>> C :: 177.599 CA :: 64.778 CB :: 25.765 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.905 HA :: 4.078 HB2 :: 2.998 HB3 :: 2.869 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 116.434 Ave N Shift Values>> N :: 119.95(4.79) 1.A129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.54 A 0.37 I 0.03 C 0.03 C Shift Assignments>> C :: 180.544 CA :: 55.104 CB :: 18.228 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.203 HA :: 4.370 HB1 :: 1.577 HB2 :: 1.577 HB3 :: 1.577 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.363 Ave N Shift Values>> N :: 123.23(3.7) 1.A130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.55 A 0.35 I 0.03 C 0.03 V 0.01 HN Overlap>> 1.E39 1.E39 C Shift Assignments>> C :: 178.598 CA :: 55.351 CB :: 18.561 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.257 HA :: 4.087 HB1 :: 1.499 HB2 :: 1.499 HB3 :: 1.499 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.169 Ave N Shift Values>> N :: 123.23(3.7) 1.I131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.94 C 0.05 C Shift Assignments>> C :: 177.786 CA :: 65.988 CB :: 38.402 CG1 :: 29.052 CG2 :: 17.134 CD1 :: 14.827 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 :: 8.080 HA :: 3.528 HB :: 2.075 HG12 :: 1.875 HG13 :: 0.985 HG21 :: 1.062 HG22 :: 1.062 HG23 :: 1.062 HD11 :: 0.932 HD12 :: 0.932 HD13 :: 0.932 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 118.070 Ave N Shift Values>> N :: 121.6(4.72) 1.Q132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 K 0.25 Q 0.24 R 0.09 E 0.08 M 0.03 I 0.01 C Shift Assignments>> C :: 177.620 CA :: 58.415 CB :: 28.384 CG :: 33.535 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 :: 8.206 HA :: 4.005 HB2 :: 2.278 HB3 :: 2.234 HG2 :: 2.461 HG3 :: 2.461 HE21 :: 7.916 HE22 :: 6.932 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 :: 119.015 NE2 :: 116.021 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.W133 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> W 0.63 C 0.34 H 0.01 C Shift Assignments>> C :: 180.593 CA :: 62.617 CB :: 29.275 CD1 :: 128.216 CE3 :: 120.408 CZ2 :: 113.692 CZ3 :: 120.307 CH2 :: 124.267 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 8.551 HA :: 3.990 HB2 :: 3.446 HB3 :: 3.049 HD1 :: 5.553(A) HE1 :: 10.002 HE3 :: 7.140 HZ2 :: 7.272 HZ3 :: 6.699 HH2 :: 7.182 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 :: 120.239 NE1 :: 130.693 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.L134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 L 0.29 R 0.23 K 0.06 G 0.01 HN Overlap>> 1.S149 1.S149 C Shift Assignments>> CA :: 58.191 CB :: 41.949 CG :: 27.355 CD1 :: 27.682 CD2 :: 24.168 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 :: 8.465 HA :: 4.049 HB2 :: 2.329 HB3 :: 1.270 HG :: 2.266 HD11 :: 0.911 HD12 :: 0.911 HD13 :: 0.911 HD21 :: 1.115 HD22 :: 1.115 HD23 :: 1.115 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 :: 119.649 Ave N Shift Values>> N :: 121.98(4.07) 1.Q135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 K 0.21 R 0.18 Q 0.15 P 0.04 E 0.02 M 0.01 I 0.01 C Shift Assignments>> CA :: 59.467 CB :: 27.514 CG :: 32.839 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 :: 8.429 HA :: 4.137 HB2 :: 2.302 HB3 :: 2.187 HG2 :: 2.629 HG3 :: 2.481 HE21 :: 7.287 HE22 :: 6.946 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 120.862 NE2 :: 108.924 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.D136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.21 L 0.18 F 0.14 D 0.12 C 0.12 Y 0.11 R 0.07 N 0.01 I 0.01 C Shift Assignments>> CA :: 56.581 CB :: 41.473 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.284 HA :: 4.521 HB2 :: 2.451 HB3 :: 2.451 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 :: 117.508 Ave N Shift Values>> N :: 120.73(4.2) 1.N137 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> D 0.27 N 0.24 C 0.14 Y 0.1 F 0.1 L 0.09 K 0.02 C Shift Assignments>> CA :: 54.179 CB :: 39.788 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 :: 8.012 HA :: 4.739 HB2 :: 1.891 HB3 :: 0.763(S) HD21 :: 6.820 HD22 :: 5.558 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 112.977 ND2 :: 116.261 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.S138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.85 S 0.14 HN Overlap>> 1.F30 1.F30 C Shift Assignments>> C :: 176.116 CA :: 65.318 CB :: 63.395 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.934 HA :: 4.165 HB2 :: 3.979 HB3 :: 3.851 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 :: 117.800 Ave N Shift Values>> N :: 116.3(3.95) 1.A139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.59 A 0.28 I 0.05 C 0.03 V 0.01 C Shift Assignments>> C :: 179.165 CA :: 55.775 CB :: 18.433 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.799 HA :: 3.954 HB1 :: 1.436 HB2 :: 1.436 HB3 :: 1.436 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.556 Ave N Shift Values>> N :: 123.23(3.7) 1.S140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.639 CA :: 60.895 CB :: 62.730 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.668 HA :: 4.059 HB2 :: 3.581 HB3 :: 3.581 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 :: 110.787 Ave N Shift Values>> N :: 116.3(3.95) 1.Y141 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 :: 175.676 CA :: 59.580 CB :: 39.183 CD1 :: 133.818 CD2 :: 133.818 CE1 :: 118.407 CE2 :: 118.407 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 7.699 HA :: 4.375 HB2 :: 2.941 HB3 :: 2.712 HD1 :: 7.241 HD2 :: 7.241 HE1 :: 6.670 HE2 :: 6.670 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 117.831 Ave N Shift Values>> N :: 120.79(4.69) 1.F142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.58 C 0.41 C Shift Assignments>> C :: 176.167 CA :: 58.755 CB :: 39.495 CD1 :: 132.434 CD2 :: 132.434 CE1 :: 131.076 CE2 :: 131.076 CZ :: 129.659 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 :: 7.603 HA :: 4.396 HB2 :: 3.123 HB3 :: 2.806 HD1 :: 7.400 HD2 :: 7.400 HE1 :: 7.177 HE2 :: 7.177 HZ :: 6.990 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 117.356 Ave N Shift Values>> N :: 120.69(4.18) 1.L143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.28 R 0.08 A 0.02 G 0.02 HN Overlap>> 1.M25 1.M25 C Shift Assignments>> C :: 177.113 CA :: 55.476 CB :: 42.326 CG :: 27.063 CD1 :: 25.102 CD2 :: 23.010 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 :: 7.740 HA :: 4.313 HB2 :: 1.696 HB3 :: 1.562 HG :: 1.593 HD11 :: 0.889 HD12 :: 0.889 HD13 :: 0.889 HD21 :: 0.840 HD22 :: 0.840 HD23 :: 0.840 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.131 Ave N Shift Values>> N :: 121.98(4.07) 1.N144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.43 C 0.18 D 0.13 Y 0.09 F 0.06 E 0.02 L 0.02 M 0.01 C Shift Assignments>> C :: 175.223 CA :: 53.465 CB :: 38.301 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 :: 8.325 HA :: 4.656 HB2 :: 2.903 HB3 :: 2.796 HD21 :: 7.652 HD22 :: 6.942 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 :: 118.338 ND2 :: 112.772 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.R145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.36 K 0.11 G 0.07 HN Overlap>> 1.V148 1.V148 C Shift Assignments>> C :: 176.108 CA :: 56.064 CB :: 30.717 CG :: 27.200 CD :: 43.366 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.214 HA :: 4.336 HB2 :: 1.903 HB3 :: 1.778 HG2 :: 1.638 HG3 :: 1.638 HD2 :: 3.205 HD3 :: 3.205 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 121.052 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.K146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.37 R 0.18 M 0.03 C Shift Assignments>> C :: 176.388 CA :: 56.298 CB :: 32.838 CG :: 24.825 CD :: 29.111 CE :: 42.050 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 :: 8.319 HA :: 4.298 HB2 :: 1.822 HB3 :: 1.767 HG2 :: 1.460 HG3 :: 1.395 HE2 :: 2.982 HE3 :: 2.982 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 :: 122.010 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.28 R 0.09 A 0.01 G 0.01 C Shift Assignments>> C :: 177.239 CA :: 55.145 CB :: 42.256 CG :: 27.215 CD1 :: 25.119 CD2 :: 23.445 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 :: 8.246 HA :: 4.383 HB2 :: 1.655 HB3 :: 1.585 HD11 :: 0.921 HD12 :: 0.921 HD13 :: 0.921 HD21 :: 0.855 HD22 :: 0.855 HD23 :: 0.855 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 :: 123.640 Ave N Shift Values>> N :: 121.98(4.07) 1.V148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.72 C 0.27 HN Overlap>> 1.R145 1.R145 C Shift Assignments>> C :: 176.027 CA :: 62.139 CB :: 32.861 CG1 :: 20.475 CG2 :: 21.128 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 :: 8.135 HA :: 4.182 HB :: 2.102 HG11 :: 0.939 HG12 :: 0.939 HG13 :: 0.939 HG21 :: 0.942 HG22 :: 0.942 HG23 :: 0.942 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 :: 121.092 Ave N Shift Values>> N :: 121.02(4.96) 1.S149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.L134 1.L134 1.Q19 1.Q19 C Shift Assignments>> C :: 174.438 CA :: 58.208 CB :: 63.931 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.383 HA :: 4.522 HB2 :: 3.872 HB3 :: 3.872 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 119.602 Ave N Shift Values>> N :: 116.3(3.95) 1.G150 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.56 L 0.17 R 0.11 C 0.09 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 171.738 CA :: 44.720 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.246 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.854 Ave N Shift Values>> N :: 109.91(4.29) 1.P151 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S152 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S153 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G154 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable ########################################################################### Overall Results: #Consistent: 148 #Clerical: 0 #Suspicious: 5 #Anomalous: 1 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 143 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 11 Shift Relative Order (SRO) Results: #Consistent: 154 #Suspicious: 0 C Shift Results: #Consistent: 634 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent:1058 #Duplicate: 0 #Unknown: 0 #Suspicious: 6 #Anomalous: 1 N Shift Results: #Consistent: 147 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.V81 HB = 0.059(S), Expected = 1.99, Std = 0.3300, ChiSquare = 4.8711e-09 1.P88 HB3 = 0.592(S), Expected = 2.05, Std = 0.3900, ChiSquare = 1.8515e-04 1.P88 HG3 = 0.595(S), Expected = 1.92, Std = 0.3700, ChiSquare = 3.4218e-04 1.L113 HA = 2.525(S), Expected = 4.32, Std = 0.4700, ChiSquare = 1.3391e-04 1.G123 HA3 = 2.239(S), Expected = 3.93, Std = 0.4000, ChiSquare = 2.3630e-05 1.W133 HD1 = 5.553(A), Expected = 7.16, Std = 0.3400, ChiSquare = 2.2846e-06 1.N137 HB3 = 0.763(S), Expected = 2.78, Std = 0.3400, ChiSquare = 2.9862e-09