Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S6 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.8 C 0.08 L 0.07 R 0.02 C Shift Assignments>> CA :: 45.630 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> HA2 :: 4.013 HA3 :: 4.013 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) 1.M8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.48 C 0.34 A 0.17 C Shift Assignments>> C :: 174.540 CA :: 54.504 CB :: 32.353 CG :: 31.778 CE :: 16.452 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 :: 8.122 HA :: 4.620 HB2 :: 2.072 HB3 :: 2.003 HG2 :: 2.455 HG3 :: 2.331 HE1 :: 2.154 HE2 :: 2.154 HE3 :: 2.154 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 :: 121.058 Ave N Shift Values>> N :: 120.1(3.88) 1.V9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.68 C 0.31 C Shift Assignments>> C :: 174.487 CA :: 61.928 CB :: 33.691 CG1 :: 22.541 CG2 :: 21.336 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 :: 7.763 HA :: 4.272 HB :: 1.712 HG11 :: 0.553 HG12 :: 0.553 HG13 :: 0.553 HG21 :: 0.802 HG22 :: 0.802 HG23 :: 0.802 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 125.717 Ave N Shift Values>> N :: 121.02(4.96) 1.F10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.45 C 0.29 G 0.24 C Shift Assignments>> C :: 174.097 CA :: 56.278 CB :: 43.803 CD1 :: 131.766 CD2 :: 131.766 CE1 :: 131.624 CE2 :: 131.624 CZ :: 129.593 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 9.230 HA :: 4.942 HB2 :: 2.783 HB3 :: 2.631 HD1 :: 7.051 HD2 :: 7.051 HE1 :: 7.281 HE2 :: 7.281 HZ :: 7.284 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 :: 126.428 Ave N Shift Values>> N :: 120.69(4.18) 1.F11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.73 C 0.15 F 0.1 C Shift Assignments>> C :: 175.640 CA :: 55.215 CB :: 45.402 CD1 :: 132.135 CD2 :: 132.135 CE1 :: 130.080 CE2 :: 130.080 CZ :: 130.335 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 :: 8.991 HA :: 5.533 HB2 :: 2.823 HB3 :: 2.416 HD1 :: 6.840 HD2 :: 6.840 HE1 :: 6.908 HE2 :: 6.908 HZ :: 7.415 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 :: 116.487 Ave N Shift Values>> N :: 120.69(4.18) 1.T12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.88 C 0.1 C Shift Assignments>> C :: 175.031 CA :: 61.270 CB :: 70.255 CG2 :: 22.215 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 9.732 HA :: 4.992 HB :: 3.819 HG21 :: 1.018 HG22 :: 1.018 HG23 :: 1.018 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 116.554 Ave N Shift Values>> N :: 115.7(5.05) 1.C13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.16 C 0.15 E 0.13 R 0.12 H 0.08 V 0.07 Q 0.06 I 0.06 K 0.05 M 0.05 HN Overlap>> 1.N14 1.N14 1.I41 1.I41 C Shift Assignments>> C :: 177.223 CA :: 59.377 CB :: 30.729 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.455 HA :: 4.476 HB2 :: 3.213 HB3 :: 2.438 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 :: 128.893 Ave N Shift Values>> N :: 119.95(4.79) 1.N14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.24 C 0.23 F 0.18 N 0.08 E 0.07 D 0.07 I 0.05 L 0.02 M 0.01 HN Overlap>> 1.C13 1.C13 C Shift Assignments>> C :: 174.616 CA :: 56.526 CB :: 38.436 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 :: 8.512 HA :: 4.406 HB2 :: 2.810 HB3 :: 2.810 HD21 :: 7.366 HD22 :: 7.319 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 :: 128.852 ND2 :: 115.546 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.A15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.5 M 0.37 C 0.05 L 0.04 V 0.01 C Shift Assignments>> C :: 178.447 CA :: 54.316 CB :: 20.065 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.120 HA :: 4.382 HB1 :: 1.321 HB2 :: 1.321 HB3 :: 1.321 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.971 Ave N Shift Values>> N :: 123.23(3.7) 1.C16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.18 K 0.16 M 0.13 W 0.1 R 0.09 Q 0.08 E 0.07 H 0.07 V 0.06 I 0.01 C Shift Assignments>> C :: 177.039 CA :: 58.133 CB :: 32.498 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.168 HA :: 5.036 HB2 :: 3.364 HB3 :: 2.748 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 :: 116.067 Ave N Shift Values>> N :: 119.95(4.79) 1.G17 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 :: 173.886 CA :: 46.273 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.009 HA2 :: 4.190 HA3 :: 3.848 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 113.646 Ave N Shift Values>> N :: 109.91(4.29) 1.E18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 E 0.38 M 0.1 I 0.07 K 0.02 C Shift Assignments>> C :: 175.532 CA :: 57.394 CB :: 31.052 CG :: 37.076 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 :: 8.599 HA :: 4.229 HB2 :: 2.062 HB3 :: 1.813 HG2 :: 2.559 HG3 :: 2.289 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 :: 123.286 Ave N Shift Values>> N :: 120.68(3.68) 1.S19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.814 CA :: 57.238 CB :: 63.648 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.411 HA :: 5.195 HB2 :: 3.761 HB3 :: 3.686 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 :: 116.497 Ave N Shift Values>> N :: 116.3(3.95) 1.V20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 V 0.42 I 0.02 C Shift Assignments>> C :: 175.324 CA :: 60.401 CB :: 34.918 CG1 :: 21.989 CG2 :: 19.417 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 :: 9.805 HA :: 4.373 HB :: 1.759 HG11 :: 0.699 HG12 :: 0.699 HG13 :: 0.699 HG21 :: 0.297 HG22 :: 0.297 HG23 :: 0.297 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 126.198 Ave N Shift Values>> N :: 121.02(4.96) 1.K21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 K 0.31 R 0.29 M 0.02 C Shift Assignments>> C :: 179.022 CA :: 56.737 CB :: 34.011 CG :: 25.980 CD :: 30.043 CE :: 42.110 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 :: 8.654 HA :: 3.904 HB2 :: 1.691 HB3 :: 1.428 HG2 :: 1.170 HG3 :: 1.081 HD2 :: 1.603 HD3 :: 1.603 HE2 :: 3.003 HE3 :: 3.003 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 126.217 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 R 0.26 K 0.23 G 0.07 C Shift Assignments>> C :: 178.390 CA :: 61.269 CB :: 33.010 CG :: 25.555 CD :: 29.796 CE :: 42.977 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 :: 8.685 HA :: 4.069 HB2 :: 2.171 HB3 :: 2.023 HG2 :: 1.757 HG3 :: 1.570 HD2 :: 1.910 HD3 :: 1.910 HE2 :: 3.157 HE3 :: 3.084 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 124.049 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.I23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.81 C 0.18 C Shift Assignments>> C :: 175.810 CA :: 62.948 CB :: 38.343 CG1 :: 27.782 CG2 :: 18.096 CD1 :: 14.369 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 :: 7.390 HA :: 4.370 HB :: 2.177 HG12 :: 1.442 HG13 :: 1.301 HG21 :: 1.062 HG22 :: 1.062 HG23 :: 1.062 HD11 :: 0.999 HD12 :: 0.999 HD13 :: 0.999 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 :: 110.101 Ave N Shift Values>> N :: 121.6(4.72) 1.Q24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 Q 0.22 E 0.18 M 0.17 K 0.14 R 0.01 C Shift Assignments>> C :: 176.566 CA :: 55.183 CB :: 30.359 CG :: 34.585 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 :: 8.093 HA :: 4.724 HB2 :: 2.468 HB3 :: 2.108 HG2 :: 2.469 HG3 :: 2.393 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 :: 119.237 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.V25 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.96 C 0.03 C Shift Assignments>> C :: 176.583 CA :: 68.029 CB :: 31.527 CG1 :: 22.027 CG2 :: 24.040 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 :: 7.484 HA :: 3.229 HB :: 1.689 HG11 :: -0.087(S) HG12 :: -0.087(S) HG13 :: -0.087(S) HG21 :: 0.594 HG22 :: 0.594 HG23 :: 0.594 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 122.618 Ave N Shift Values>> N :: 121.02(4.96) 1.E26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.38 C 0.32 E 0.24 K 0.03 C Shift Assignments>> C :: 179.520 CA :: 60.448 CB :: 28.960 CG :: 36.799 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 :: 8.572 HA :: 3.927 HB2 :: 2.066 HB3 :: 2.066 HG2 :: 2.382 HG3 :: 2.297 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 :: 118.246 Ave N Shift Values>> N :: 120.68(3.68) 1.K27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.37 C 0.35 R 0.23 M 0.02 G 0.01 HN Overlap>> 1.C37 1.C37 C Shift Assignments>> C :: 179.085 CA :: 58.522 CB :: 32.046 CG :: 25.018 CD :: 29.049 CE :: 42.235 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 :: 7.904 HA :: 4.096 HB2 :: 1.905 HB3 :: 1.905 HG2 :: 1.496 HG3 :: 1.496 HD2 :: 1.734 HD3 :: 1.734 HE2 :: 3.011 HE3 :: 3.011 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 :: 119.257 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.H28 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.51 C 0.44 H 0.04 C Shift Assignments>> C :: 177.813 CA :: 60.827 CB :: 29.289 CD2 :: 126.718 CE1 :: 140.852(A) 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 :: 8.443 HA :: 4.113 HB2 :: 3.377 HB3 :: 3.180 HD2 :: 6.884 HE1 :: 7.989 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 :: 121.006 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.V29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.94 C 0.05 C Shift Assignments>> C :: 177.555 CA :: 65.750 CB :: 31.660 CG1 :: 21.705 CG2 :: 22.260 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 :: 8.868 HA :: 3.699 HB :: 2.206 HG11 :: 1.027 HG12 :: 1.027 HG13 :: 1.027 HG21 :: 1.073 HG22 :: 1.073 HG23 :: 1.073 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 :: 116.527 Ave N Shift Values>> N :: 121.02(4.96) 1.S30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.681 CA :: 61.103 CB :: 63.212 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.348 HA :: 4.223 HB2 :: 3.964 HB3 :: 3.964 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 :: 113.393 Ave N Shift Values>> N :: 116.3(3.95) 1.N31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.17 N 0.14 C 0.11 K 0.09 F 0.07 Y 0.06 R 0.02 C Shift Assignments>> C :: 173.525 CA :: 53.595 CB :: 41.052 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 :: 7.154 HA :: 4.870 HB2 :: 2.794 HB3 :: 2.560 HD21 :: 7.532 HD22 :: 6.911 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 117.198 ND2 :: 113.807 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.C32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.18 I 0.15 C 0.14 Q 0.09 W 0.09 K 0.09 L 0.08 H 0.06 E 0.06 C Shift Assignments>> C :: 174.655 CA :: 58.892 CB :: 27.248 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.017 HA :: 4.337 HB2 :: 2.619 HB3 :: 1.743 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 :: 127.385 Ave N Shift Values>> N :: 119.95(4.79) 1.R33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.36 K 0.12 G 0.04 L 0.02 C Shift Assignments>> C :: 177.385 CA :: 58.687 CB :: 29.847 CG :: 26.912 CD :: 43.012 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 :: 8.108 HA :: 4.106 HB2 :: 1.816 HB3 :: 1.816 HG2 :: 1.653 HG3 :: 1.653 HD2 :: 3.226 HD3 :: 3.226 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 :: 123.291 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.N34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.51 C 0.18 D 0.12 Y 0.06 F 0.04 E 0.02 L 0.01 M 0.01 C Shift Assignments>> C :: 174.152 CA :: 52.704 CB :: 38.158 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 :: 8.612 HA :: 4.882 HB2 :: 3.012 HB3 :: 2.698 HD21 :: 7.538 HD22 :: 6.870 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 114.788 ND2 :: 112.466 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.C35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.43 P 0.19 C 0.13 R 0.07 K 0.04 W 0.04 Q 0.01 L 0.01 H 0.01 E 0.01 V 0.01 C Shift Assignments>> C :: 174.628 CA :: 61.363 CB :: 26.207 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.697 HA :: 4.089 HB2 :: 3.570 HB3 :: 2.899 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 121.434 Ave N Shift Values>> N :: 119.95(4.79) 1.E36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.68 M 0.15 E 0.14 C Shift Assignments>> C :: 174.532 CA :: 56.570 CB :: 33.809 CG :: 36.731 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 :: 8.975 HA :: 4.717 HB2 :: 2.361 HB3 :: 2.019 HG2 :: 2.362 HG3 :: 2.362 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 130.314 Ave N Shift Values>> N :: 120.68(3.68) 1.C37 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.15 Q 0.14 R 0.14 H 0.11 C 0.11 W 0.1 E 0.09 L 0.07 I 0.03 M 0.01 HN Overlap>> 1.K27 1.K27 C Shift Assignments>> C :: 171.757 CA :: 56.853 CB :: 28.158 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.953 HA :: 4.479 HB2 :: 1.772 HB3 :: 1.016(S) Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 119.287 Ave N Shift Values>> N :: 119.95(4.79) 1.L38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.4 G 0.34 C 0.16 R 0.05 A 0.02 C Shift Assignments>> C :: 176.040 CA :: 52.639 CB :: 44.263 CG :: 27.226 CD1 :: 26.428 CD2 :: 23.735 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 :: 8.533 HA :: 5.062 HB2 :: 1.223 HB3 :: 1.008 HG :: 1.194 HD11 :: 0.217 HD12 :: 0.217 HD13 :: 0.217 HD21 :: 0.469 HD22 :: 0.469 HD23 :: 0.469 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 :: 130.691 Ave N Shift Values>> N :: 121.98(4.07) 1.S39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.053 CA :: 56.582 CB :: 64.079 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.723 HA :: 5.902 HB2 :: 3.722 HB3 :: 3.538 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 :: 117.910 Ave N Shift Values>> N :: 116.3(3.95) 1.C40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.17 V 0.16 W 0.14 R 0.09 E 0.09 K 0.06 I 0.06 H 0.05 M 0.05 P 0.04 Q 0.03 C Shift Assignments>> C :: 178.908 CA :: 60.233 CB :: 31.435 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 9.183 HA :: 4.598 HB2 :: 3.498 HB3 :: 2.895 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 :: 130.036 Ave N Shift Values>> N :: 119.95(4.79) 1.I41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.9 C 0.09 HN Overlap>> 1.C13 1.C13 C Shift Assignments>> C :: 176.276 CA :: 64.577 CB :: 38.146 CG1 :: 27.928 CG2 :: 17.394 CD1 :: 13.956 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 :: 8.518 HA :: 3.958 HB :: 1.793 HG12 :: 1.436 HG13 :: 1.214 HG21 :: 0.860 HG22 :: 0.860 HG23 :: 0.860 HD11 :: 0.674 HD12 :: 0.674 HD13 :: 0.674 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 128.976 Ave N Shift Values>> N :: 121.6(4.72) 1.D42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.32 L 0.22 C 0.14 G 0.11 F 0.06 K 0.04 Y 0.04 D 0.03 C Shift Assignments>> C :: 176.955 CA :: 57.227 CB :: 43.795 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 :: 8.898 HA :: 4.815 HB2 :: 2.801 HB3 :: 2.680 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 123.614 Ave N Shift Values>> N :: 120.73(4.2) 1.C43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.18 K 0.13 W 0.12 M 0.11 R 0.11 E 0.09 V 0.08 H 0.07 Q 0.04 I 0.01 C Shift Assignments>> C :: 177.279 CA :: 58.653 CB :: 32.110 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.250 HA :: 5.011 HB2 :: 3.305 HB3 :: 3.095 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 :: 117.084 Ave N Shift Values>> N :: 119.95(4.79) 1.G44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.11 L 0.05 C Shift Assignments>> C :: 173.648 CA :: 46.281 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.844 HA2 :: 4.065 HA3 :: 3.904 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 113.014 Ave N Shift Values>> N :: 109.91(4.29) 1.K45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 K 0.32 R 0.28 G 0.01 M 0.01 C Shift Assignments>> C :: 174.092 CA :: 57.428 CB :: 33.823 CG :: 25.907 CD :: 29.183 CE :: 42.483 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 :: 8.073 HA :: 4.060 HB2 :: 1.725 HB3 :: 1.392 HG2 :: 1.390 HG3 :: 1.009 HD2 :: 1.596 HD3 :: 1.596 HE2 :: 2.967 HE3 :: 2.967 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 :: 122.350 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.D46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 R 0.18 D 0.17 C 0.11 K 0.08 G 0.04 F 0.03 Y 0.02 N 0.02 C Shift Assignments>> C :: 175.195 CA :: 53.691 CB :: 42.927 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.888 HA :: 4.689 HB2 :: 2.388 HB3 :: 2.069 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.298 Ave N Shift Values>> N :: 120.73(4.2) 1.F47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.6 C 0.39 C Shift Assignments>> C :: 175.053 CA :: 57.497 CB :: 40.815 CD1 :: 132.505 CD2 :: 132.505 CE1 :: 130.728 CE2 :: 130.728 CZ :: 128.353 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 :: 8.742 HA :: 4.729 HB2 :: 2.898 HB3 :: 2.595 HD1 :: 7.216 HD2 :: 7.216 HE1 :: 6.937 HE2 :: 6.937 HZ :: 6.229 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 119.267 Ave N Shift Values>> N :: 120.69(4.18) 1.W48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.52 C 0.44 H 0.03 C Shift Assignments>> C :: 177.610 CA :: 57.437 CB :: 30.048 CD1 :: 126.958 CE3 :: 121.131 CZ2 :: 114.855 CZ3 :: 121.962 CH2 :: 124.540 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 9.915 HA :: 4.948 HB2 :: 3.451 HB3 :: 3.175 HD1 :: 7.208 HE1 :: 10.449 HE3 :: 7.714 HZ2 :: 7.476 HZ3 :: 7.078 HH2 :: 7.208 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 :: 129.854 NE1 :: 130.636 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.G49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.7 C 0.21 L 0.03 A 0.01 P 0.01 C Shift Assignments>> C :: 176.109 CA :: 47.282 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.709 HA2 :: 4.114 HA3 :: 3.987 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.102 Ave N Shift Values>> N :: 109.91(4.29) 1.D50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.27 L 0.15 N 0.12 C 0.12 F 0.1 Y 0.09 K 0.08 R 0.01 C Shift Assignments>> C :: 177.761 CA :: 54.616 CB :: 40.577 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 :: 9.029 HA :: 4.940 HB2 :: 2.804 HB3 :: 2.686 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 :: 126.847 Ave N Shift Values>> N :: 120.73(4.2) 1.D51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.24 Y 0.22 C 0.17 D 0.09 L 0.09 K 0.06 I 0.06 N 0.02 C Shift Assignments>> C :: 178.122 CA :: 57.341 CB :: 40.171 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 :: 8.533 HA :: 4.518 HB2 :: 3.297 HB3 :: 3.069 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 121.794 Ave N Shift Values>> N :: 120.73(4.2) 1.Y52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.67 Y 0.21 W 0.06 H 0.04 C Shift Assignments>> C :: 176.199 CA :: 59.779 CB :: 34.971 CE1 :: 118.464 CE2 :: 118.464 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 :: 7.879 HA :: 3.410 HB2 :: 2.448 HB3 :: 2.005 HE1 :: 6.780 HE2 :: 6.780 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 :: 118.005 Ave N Shift Values>> N :: 120.79(4.69) 1.K53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 R 0.31 K 0.29 G 0.01 M 0.01 C Shift Assignments>> C :: 178.181 CA :: 59.326 CB :: 32.709 CG :: 26.333 CD :: 29.714 CE :: 42.318 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 :: 6.423 HA :: 3.150 HB2 :: 1.601 HB3 :: 1.431 HG2 :: 0.836 HG3 :: 0.534 HD2 :: 1.520 HD3 :: 1.520 HE2 :: 2.915 HE3 :: 2.869 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 :: 119.631 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.S54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.323 CA :: 58.692 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 :: 7.448 HA :: 4.374 HB2 :: 4.122 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 :: 111.321 Ave N Shift Values>> N :: 116.3(3.95) 1.H55 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.44 C 0.44 H 0.1 C Shift Assignments>> C :: 173.323 CA :: 55.274 CB :: 28.170 CD2 :: 126.971 CE1 :: 140.546(A) Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 7.578 HA :: 4.933 HB2 :: 3.389 HB3 :: 2.031 HD2 :: 6.764 HE1 :: 8.311 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 :: 124.514 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.V56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.68 C 0.31 C Shift Assignments>> C :: 175.044 CA :: 62.011 CB :: 33.039 CG1 :: 21.655 CG2 :: 19.437 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 :: 7.860 HA :: 4.082 HB :: 2.153 HG11 :: 0.908 HG12 :: 0.908 HG13 :: 0.908 HG21 :: 0.880 HG22 :: 0.880 HG23 :: 0.880 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 :: 121.026 Ave N Shift Values>> N :: 121.02(4.96) 1.K57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.38 R 0.15 M 0.03 G 0.01 C Shift Assignments>> C :: 174.883 CA :: 55.947 CB :: 33.881 CG :: 24.396 CD :: 29.302 CE :: 42.318 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 :: 7.744 HA :: 4.168 HB2 :: 1.752 HB3 :: 1.633 HG2 :: 1.328 HG3 :: 1.328 HD2 :: 1.603 HD3 :: 1.603 HE2 :: 2.956 HE3 :: 2.956 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 :: 119.839 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.C58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.16 C 0.14 I 0.13 E 0.12 R 0.09 H 0.08 K 0.08 Q 0.07 V 0.04 M 0.02 C Shift Assignments>> C :: 175.410 CA :: 59.829 CB :: 29.659 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.351 HA :: 4.307 HB2 :: 2.854 HB3 :: 2.626 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 126.303 Ave N Shift Values>> N :: 119.95(4.79) 1.I59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.69 C 0.3 C Shift Assignments>> C :: 175.958 CA :: 60.971 CB :: 39.476 CG1 :: 27.186 CG2 :: 17.765 CD1 :: 13.316 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 :: 8.088 HA :: 4.353 HB :: 1.934 HG12 :: 1.486 HG13 :: 1.220 HG21 :: 0.957 HG22 :: 0.957 HG23 :: 0.957 HD11 :: 0.882 HD12 :: 0.882 HD13 :: 0.882 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 :: 123.438 Ave N Shift Values>> N :: 121.6(4.72) 1.S60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.556 CA :: 58.178 CB :: 64.039 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.444 HA :: 4.516 HB2 :: 3.875 HB3 :: 3.875 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 :: 119.867 Ave N Shift Values>> N :: 116.3(3.95) 1.E61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.35 M 0.09 K 0.07 I 0.06 Q 0.03 C Shift Assignments>> C :: 177.179 CA :: 57.177 CB :: 30.328 CG :: 36.362 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 :: 8.470 HA :: 4.302 HB2 :: 2.106 HB3 :: 2.029 HG2 :: 2.323 HG3 :: 2.289 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 :: 123.230 Ave N Shift Values>> N :: 120.68(3.68) 1.G62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 C 0.08 L 0.08 R 0.02 C Shift Assignments>> C :: 174.421 CA :: 45.502 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.485 HA2 :: 3.946 HA3 :: 3.946 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.730 Ave N Shift Values>> N :: 109.91(4.29) 1.Q63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.26 C 0.24 K 0.23 E 0.12 M 0.08 R 0.04 C Shift Assignments>> C :: 176.195 CA :: 56.088 CB :: 29.392 CG :: 33.901 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 :: 8.176 HA :: 4.275 HB2 :: 2.042 HB3 :: 1.974 HG2 :: 2.315 HG3 :: 2.315 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 :: 119.772 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.K64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.38 R 0.17 M 0.03 G 0.01 C Shift Assignments>> C :: 176.522 CA :: 56.674 CB :: 33.022 CG :: 24.731 CD :: 29.190 CE :: 42.235 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 :: 8.284 HA :: 4.228 HB2 :: 1.656 HB3 :: 1.656 HG2 :: 1.303 HG3 :: 1.207 HD2 :: 1.608 HD3 :: 1.608 HE2 :: 2.930 HE3 :: 2.930 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 121.842 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Y65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.55 C 0.44 HN Overlap>> 1.K73 1.K73 C Shift Assignments>> CA :: 57.889 CB :: 38.607 CD1 :: 133.266 CD2 :: 133.266 CE1 :: 118.256 CE2 :: 118.256 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 :: 8.278 HA :: 4.557 HB2 :: 3.086 HB3 :: 2.927 HD1 :: 7.115 HD2 :: 7.115 HE1 :: 6.827 HE2 :: 6.827 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 120.602 Ave N Shift Values>> N :: 120.79(4.69) 1.G66 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 0.04 C Shift Assignments>> CA :: 45.254 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.943 HA2 :: 3.974 HA3 :: 3.974 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.287 Ave N Shift Values>> N :: 109.91(4.29) 1.G67 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.K68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> K 0.39 C 0.38 R 0.17 M 0.03 G 0.01 C Shift Assignments>> C :: 177.276 CA :: 56.604 CB :: 32.990 CG :: 24.796 CD :: 29.162 CE :: 42.153 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> HA :: 4.326 HB2 :: 1.834 HB3 :: 1.757 HG2 :: 1.468 HG3 :: 1.422 HD2 :: 1.700 HD3 :: 1.700 HE2 :: 2.989 HE3 :: 2.989 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) 1.G69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.77 L 0.09 C 0.07 R 0.03 C Shift Assignments>> C :: 173.925 CA :: 45.306 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.512 HA2 :: 3.902 HA3 :: 3.902 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.033 Ave N Shift Values>> N :: 109.91(4.29) 1.Y70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.56 C 0.43 C Shift Assignments>> C :: 175.697 CA :: 58.083 CB :: 38.820 CD1 :: 133.261 CD2 :: 133.261 CE1 :: 118.238 CE2 :: 118.238 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 :: 7.998 HA :: 4.508 HB2 :: 3.011 HB3 :: 2.934 HD1 :: 7.073 HD2 :: 7.073 HE1 :: 6.828 HE2 :: 6.828 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 120.032 Ave N Shift Values>> N :: 120.79(4.69) 1.E71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.35 M 0.12 K 0.06 Q 0.04 I 0.03 C Shift Assignments>> C :: 175.718 CA :: 56.364 CB :: 30.520 CG :: 36.316 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.288 HA :: 4.215 HB2 :: 1.984 HB3 :: 1.879 HG2 :: 2.208 HG3 :: 2.208 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 :: 123.324 Ave N Shift Values>> N :: 120.68(3.68) 1.A72 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 :: 177.761 CA :: 52.588 CB :: 19.161 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.223 HA :: 4.268 HB1 :: 1.403 HB2 :: 1.403 HB3 :: 1.403 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.537 Ave N Shift Values>> N :: 123.23(3.7) 1.K73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.37 R 0.17 M 0.03 G 0.01 HN Overlap>> 1.Y65 1.Y65 C Shift Assignments>> C :: 176.612 CA :: 56.276 CB :: 33.090 CG :: 24.607 CD :: 29.055 CE :: 42.235 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 :: 8.301 HA :: 4.364 HB2 :: 1.880 HB3 :: 1.768 HG2 :: 1.438 HG3 :: 1.438 HD2 :: 1.675 HD3 :: 1.675 HE2 :: 2.989 HE3 :: 2.989 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 :: 120.667 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.S74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.524 CA :: 58.219 CB :: 64.149 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.297 HA :: 4.507 HB2 :: 3.869 HB3 :: 3.869 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 :: 116.803 Ave N Shift Values>> N :: 116.3(3.95) 1.G75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.57 L 0.17 R 0.11 C 0.09 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 171.809 CA :: 44.739 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.249 HA2 :: 4.140 HA3 :: 4.140 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.648 Ave N Shift Values>> N :: 109.91(4.29) 1.P76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.81 C 0.17 C Shift Assignments>> C :: 177.461 CA :: 63.297 CB :: 32.158 CG :: 27.160 CD :: 49.814 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 :: 4.474 HB2 :: 2.297 HB3 :: 1.978 HG2 :: 2.019 HG3 :: 2.019 HD2 :: 3.623 HD3 :: 3.623 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.S77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.717 CA :: 58.420 CB :: 63.898 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.534 HA :: 4.518 HB2 :: 3.913 HB3 :: 3.913 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 :: 116.363 Ave N Shift Values>> N :: 116.3(3.95) 1.S78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.991 CA :: 58.412 CB :: 64.049 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.327 HA :: 4.507 HB2 :: 3.902 HB3 :: 3.902 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 117.800 Ave N Shift Values>> N :: 116.3(3.95) 1.G79 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.ZN1 Overall Status: Residue type ZN not supported. ########################################################################### Overall Results: #Consistent: 75 #Clerical: 0 #Suspicious: 2 #Anomalous: 2 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 71 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 8 Shift Relative Order (SRO) Results: #Consistent: 79 #Suspicious: 0 C Shift Results: #Consistent: 297 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 2 H Shift Results: #Consistent: 448 #Duplicate: 0 #Unknown: 0 #Suspicious: 4 #Anomalous: 0 N Shift Results: #Consistent: 72 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.V25 HG11 = -0.087(S), Expected = 0.84, Std = 0.2700, ChiSquare = 5.9621e-04 1.V25 HG12 = -0.087(S), Expected = 0.84, Std = 0.2700, ChiSquare = 5.9621e-04 1.V25 HG13 = -0.087(S), Expected = 0.84, Std = 0.2700, ChiSquare = 5.9621e-04 1.H28 CE1 = 140.852(A), Expected = 136.05, Std = 3.5800, ChiSquare = 1.7981e-01 1.C37 HB3 = 1.016(S), Expected = 2.98, Std = 0.4500, ChiSquare = 1.2745e-05 1.H55 CE1 = 140.546(A), Expected = 136.05, Std = 3.5800, ChiSquare = 2.0916e-01