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 0.7 L 0.11 C 0.08 R 0.05 C Shift Assignments>> CA :: 45.082 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> HA2 :: 3.961 HA3 :: 3.961 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) 1.E8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.31 K 0.12 M 0.08 Q 0.08 I 0.01 C Shift Assignments>> CA :: 54.162 CB :: 29.607 CG :: 35.988 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 :: 8.199 HA :: 4.568 HB2 :: 1.864 HB3 :: 2.010 HG2 :: 2.273 HG3 :: 2.273 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.908 Ave N Shift Values>> N :: 120.68(3.68) 1.P9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.8 C 0.18 C Shift Assignments>> C :: 176.735 CA :: 63.124 CB :: 31.816 CG :: 27.433 CD :: 50.634 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 :: 4.367 HB2 :: 1.725 HB3 :: 1.790 HG2 :: 1.975 HG3 :: 1.975 HD2 :: 3.643 HD3 :: 3.809 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.A10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.75 M 0.21 C 0.02 C Shift Assignments>> C :: 177.707 CA :: 52.588 CB :: 19.077 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.440 HA :: 4.224 HB1 :: 1.324 HB2 :: 1.324 HB3 :: 1.324 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.221 Ave N Shift Values>> N :: 123.23(3.7) 1.H11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.35 W 0.35 C 0.28 C Shift Assignments>> C :: 175.805 CA :: 55.982 CB :: 30.417 CD2 :: 120.049 CE1 :: 137.904 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 :: 8.211 HA :: 4.623 HB2 :: 3.113 HB3 :: 3.180 HD2 :: 7.102 HE1 :: 8.052 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 117.914 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.G12 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 :: 173.924 CA :: 45.302 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.365 HA2 :: 3.951 HA3 :: 3.951 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.958 Ave N Shift Values>> N :: 109.91(4.29) 1.R13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.43 C 0.36 K 0.11 G 0.07 HN Overlap>> 1.V110 1.I64 1.V110 1.I64 C Shift Assignments>> C :: 176.196 CA :: 56.031 CB :: 31.000 CG :: 27.095 CD :: 43.398 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 :: 8.308 HA :: 4.360 HB2 :: 1.769 HB3 :: 1.872 HG2 :: 1.629 HG3 :: 1.629 HD2 :: 3.215 HD3 :: 3.215 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 :: 120.344 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.Q14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.26 C 0.24 K 0.22 E 0.12 M 0.09 R 0.04 C Shift Assignments>> C :: 174.823 CA :: 55.842 CB :: 29.538 CG :: 33.876 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 :: 8.529 HA :: 4.306 HB2 :: 2.015 HB3 :: 1.960 HG2 :: 2.343 HG3 :: 2.343 HE21 :: 7.527 HE22 :: 6.889 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 :: 122.129 NE2 :: 112.662 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.H15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 H 0.29 W 0.29 C Shift Assignments>> C :: 174.639 CA :: 55.054 CB :: 33.220 CD2 :: 120.459 CE1 :: 138.214 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 :: 8.170 HA :: 5.044 HB2 :: 2.825 HB3 :: 2.955 HD2 :: 6.646 HE1 :: 7.806 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 :: 118.509 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.T16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.54 C 0.39 A 0.05 C Shift Assignments>> C :: 174.639 CA :: 58.670 CB :: 72.556 CG2 :: 20.541 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 :: 9.151 HA :: 5.063 HB :: 3.846 HG21 :: 0.978 HG22 :: 0.978 HG23 :: 0.978 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 118.122 Ave N Shift Values>> N :: 115.7(5.05) 1.P17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.57 C 0.42 C Shift Assignments>> C :: 177.251 CA :: 61.667 CB :: 31.777 CG :: 27.215 CD :: 51.692 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 5.190 HB2 :: 2.042 HB3 :: 2.164 HG2 :: 1.904 HG3 :: 1.904 HD2 :: 3.798 HD3 :: 3.730 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.C18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.2 W 0.15 C 0.15 E 0.1 K 0.08 R 0.07 Q 0.07 H 0.07 V 0.03 M 0.01 P 0.01 C Shift Assignments>> C :: 173.525 CA :: 60.233 CB :: 29.135 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.655 HA :: 3.906 HB2 :: 3.371 HB3 :: 3.070 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 :: 121.978 Ave N Shift Values>> N :: 119.95(4.79) 1.L19 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.51 C 0.29 L 0.11 A 0.04 R 0.02 C Shift Assignments>> C :: 177.528 CA :: 56.686 CB :: 45.244 CG :: 26.907 CD1 :: 21.437 CD2 :: 25.695 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 6.044(S) HA :: 3.728 HB2 :: 1.023 HB3 :: 0.423 HG :: 1.326 HD11 :: 0.579 HD12 :: 0.579 HD13 :: 0.579 HD21 :: 0.806 HD22 :: 0.806 HD23 :: 0.806 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 :: 125.771 Ave N Shift Values>> N :: 121.98(4.07) 1.F20 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> F 0.57 C 0.41 C Shift Assignments>> C :: 174.281 CA :: 57.831 CB :: 40.317 CD1 :: 132.440 CD2 :: 132.440 CE1 :: 130.865 CE2 :: 130.865 CZ :: 127.707 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 :: 9.745 HA :: 4.540 HB2 :: 2.921 HB3 :: 0.973(S) HD1 :: 6.972 HD2 :: 6.972 HE1 :: 6.363 HE2 :: 6.363 HZ :: 5.889 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 118.103 Ave N Shift Values>> N :: 120.69(4.18) 1.C21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.16 E 0.14 C 0.13 R 0.12 H 0.1 Q 0.09 K 0.07 I 0.05 M 0.04 V 0.03 C Shift Assignments>> C :: 172.385 CA :: 58.664 CB :: 30.143 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.516 HA :: 4.936 HB2 :: 3.382 HB3 :: 3.429 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 :: 118.217 Ave N Shift Values>> N :: 119.95(4.79) 1.D22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.17 N 0.14 C 0.11 K 0.08 F 0.07 Y 0.06 R 0.01 C Shift Assignments>> C :: 177.088 CA :: 53.821 CB :: 40.897 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 :: 8.073 HA :: 4.660 HB2 :: 2.692 HB3 :: 2.760 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 :: 113.860 Ave N Shift Values>> N :: 120.73(4.2) 1.R23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 R 0.37 G 0.13 K 0.09 C Shift Assignments>> C :: 173.739 CA :: 57.860 CB :: 31.723 CG :: 27.889 CD :: 43.902 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 :: 8.485 HA :: 3.843 HB2 :: 1.316 HB3 :: 1.492 HG2 :: 1.893 HG3 :: 1.441 HD2 :: 3.200 HD3 :: 2.886 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 :: 122.776 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.L24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.39 G 0.39 C 0.15 A 0.04 R 0.01 C Shift Assignments>> C :: 176.916 CA :: 53.282 CB :: 44.732 CG :: 26.662 CD1 :: 25.186 CD2 :: 23.110 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 :: 7.595 HA :: 4.776 HB2 :: 1.413 HB3 :: 0.891 HG :: 1.501 HD11 :: 0.642 HD12 :: 0.642 HD13 :: 0.642 HD21 :: 0.563 HD22 :: 0.563 HD23 :: 0.563 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 :: 118.118 Ave N Shift Values>> N :: 121.98(4.07) 1.F25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.42 F 0.33 C 0.24 C Shift Assignments>> C :: 175.614 CA :: 57.490 CB :: 44.473 CD1 :: 131.867 CD2 :: 131.867 CE1 :: 130.477 CE2 :: 130.477 CZ :: 127.767 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 :: 8.878 HA :: 4.645 HB2 :: 2.909 HB3 :: 3.014 HD1 :: 7.079 HD2 :: 7.079 HE1 :: 6.801 HE2 :: 6.801 HZ :: 5.594 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 118.217 Ave N Shift Values>> N :: 120.69(4.18) 1.A26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.77 M 0.17 C 0.02 L 0.01 C Shift Assignments>> C :: 176.151 CA :: 52.237 CB :: 19.584 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.017 HA :: 4.353 HB1 :: 1.366 HB2 :: 1.366 HB3 :: 1.366 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.771 Ave N Shift Values>> N :: 123.23(3.7) 1.S27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.83 T 0.16 C Shift Assignments>> C :: 175.192 CA :: 56.786 CB :: 66.579 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.225 HA :: 4.717 HB2 :: 4.016 HB3 :: 4.294 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 :: 105.955 Ave N Shift Values>> N :: 116.3(3.95) 1.A28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.51 A 0.39 C 0.03 I 0.02 V 0.01 C Shift Assignments>> C :: 177.892 CA :: 55.131 CB :: 18.684 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.845 HA :: 3.544 HB1 :: 1.247 HB2 :: 1.247 HB3 :: 1.247 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 127.478 Ave N Shift Values>> N :: 123.23(3.7) 1.E29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.5 C 0.3 E 0.16 K 0.02 C Shift Assignments>> C :: 179.834 CA :: 61.162 CB :: 28.805 CG :: 36.986 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.658 HA :: 3.972 HB2 :: 2.045 HB3 :: 2.215 HG2 :: 2.439 HG3 :: 2.557 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 :: 118.872 Ave N Shift Values>> N :: 120.68(3.68) 1.E30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 E 0.31 I 0.22 M 0.04 K 0.01 C Shift Assignments>> C :: 179.127 CA :: 59.185 CB :: 30.791 CG :: 37.571 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 :: 8.095 HA :: 4.031 HB2 :: 2.060 HB3 :: 2.211 HG2 :: 2.373 HG3 :: 2.373 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 :: 118.619 Ave N Shift Values>> N :: 120.68(3.68) 1.T31 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> T 0.98 C 0.01 C Shift Assignments>> C :: 177.391 CA :: 67.302 CB :: 67.245 CG2 :: 21.239 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 :: 7.304 HA :: 3.805 HB :: 2.741(S) HG21 :: 0.932 HG22 :: 0.932 HG23 :: 0.932 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 118.117 Ave N Shift Values>> N :: 115.7(5.05) 1.F32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.54 C 0.45 C Shift Assignments>> C :: 179.692 CA :: 60.638 CB :: 37.416 CD1 :: 130.608 CD2 :: 130.608 CE1 :: 130.722 CE2 :: 130.722 CZ :: 130.899 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 :: 8.708 HA :: 4.714 HB2 :: 2.937 HB3 :: 3.255 HD1 :: 6.953 HD2 :: 6.953 HE1 :: 6.804 HE2 :: 6.804 HZ :: 7.707 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 :: 121.299 Ave N Shift Values>> N :: 120.69(4.18) 1.S33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.597 CA :: 62.089 CB :: 62.494 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.522 HA :: 4.377 HB2 :: 3.992 HB3 :: 4.047 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 :: 119.185 Ave N Shift Values>> N :: 116.3(3.95) 1.H34 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.9 W 0.08 C Shift Assignments>> C :: 177.579 CA :: 59.166 CB :: 27.398 CD2 :: 131.000(S) CE1 :: 138.335 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 :: 7.725 HA :: 4.572 HB2 :: 3.068 HB3 :: 3.068 HD2 :: 7.754 HE1 :: 7.869 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 :: 121.676 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.C35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.49 P 0.42 C 0.04 V 0.02 C Shift Assignments>> C :: 177.585 CA :: 65.939 CB :: 27.581 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 9.009 HA :: 4.228 HB2 :: 3.452 HB3 :: 3.866 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 :: 117.775 Ave N Shift Values>> N :: 119.95(4.79) 1.K36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 K 0.33 R 0.23 M 0.01 C Shift Assignments>> C :: 178.136 CA :: 60.482 CB :: 33.165 CG :: 25.905 CD :: 30.047 CE :: 41.878 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 :: 8.013 HA :: 3.786 HB2 :: 2.028 HB3 :: 2.032 HG2 :: 1.309 HG3 :: 1.660 HD2 :: 1.714 HD3 :: 1.714 HE2 :: 2.869 HE3 :: 2.954 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 122.466 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 C 0.33 R 0.07 G 0.07 HN Overlap>> 1.L106 1.L106 C Shift Assignments>> C :: 178.534 CA :: 57.617 CB :: 43.178 CG :: 27.167 CD1 :: 23.717 CD2 :: 24.453 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 :: 7.770 HA :: 4.133 HB2 :: 1.627 HB3 :: 1.803 HG :: 1.716 HD11 :: 0.922 HD12 :: 0.922 HD13 :: 0.922 HD21 :: 0.927 HD22 :: 0.927 HD23 :: 0.927 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 :: 118.452 Ave N Shift Values>> N :: 121.98(4.07) 1.E38 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> E 0.39 C 0.37 M 0.07 I 0.07 K 0.05 Q 0.01 C Shift Assignments>> C :: 177.115 CA :: 57.023 CB :: 30.270 CG :: 36.782 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 :: 8.580 HA :: 4.340 HB2 :: 1.162(S) HB3 :: 1.302 HG2 :: 2.039 HG3 :: 2.039 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 114.127 Ave N Shift Values>> N :: 120.68(3.68) 1.H39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.47 C 0.45 H 0.06 C Shift Assignments>> C :: 173.683 CA :: 53.875 CB :: 29.281 CD2 :: 128.054 CE1 :: 140.262 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 :: 6.777 HA :: 5.033 HB2 :: 3.074 HB3 :: 3.182 HD2 :: 7.078 HE1 :: 8.094 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 :: 110.867 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.Q40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 K 0.3 Q 0.12 R 0.05 E 0.03 I 0.03 M 0.02 C Shift Assignments>> C :: 173.894 CA :: 57.569 CB :: 25.692 CG :: 34.399 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 :: 7.187 HA :: 3.993 HB2 :: 2.214 HB3 :: 2.303 HG2 :: 2.248 HG3 :: 2.248 HE21 :: 6.584 HE22 :: 7.301 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 112.309 NE2 :: 112.420 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.F41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.6 C 0.38 C Shift Assignments>> C :: 173.227 CA :: 56.453 CB :: 41.633 CD1 :: 132.658 CD2 :: 132.658 CE1 :: 130.588 CE2 :: 130.588 CZ :: 128.349 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 :: 7.725 HA :: 4.737 HB2 :: 2.529 HB3 :: 2.529 HD1 :: 7.219 HD2 :: 7.219 HE1 :: 7.192 HE2 :: 7.192 HZ :: 6.921 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 :: 117.951 Ave N Shift Values>> N :: 120.69(4.18) 1.N42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.54 D 0.19 C 0.16 Y 0.03 F 0.03 L 0.02 C Shift Assignments>> C :: 174.795 CA :: 50.764 CB :: 39.172 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 :: 8.893 HA :: 4.656 HB2 :: 2.962 HB3 :: 2.471 HD21 :: 7.147 HD22 :: 7.614 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 :: 128.008 ND2 :: 112.207 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.I43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.62 C 0.36 C Shift Assignments>> C :: 174.506 CA :: 60.350 CB :: 38.100 CG1 :: 28.230 CG2 :: 18.003 CD1 :: 13.676 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 :: 8.637 HA :: 3.538 HB :: 1.279 HG12 :: 0.942 HG13 :: 0.646 HG21 :: 0.204 HG22 :: 0.204 HG23 :: 0.204 HD11 :: 0.811 HD12 :: 0.811 HD13 :: 0.811 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 :: 125.378 Ave N Shift Values>> N :: 121.6(4.72) 1.D44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.24 Y 0.23 C 0.18 D 0.1 L 0.08 I 0.06 K 0.04 N 0.03 C Shift Assignments>> C :: 178.450 CA :: 57.183 CB :: 39.915 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 :: 7.858 HA :: 4.029 HB2 :: 2.578 HB3 :: 2.654 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 :: 121.941 Ave N Shift Values>> N :: 120.73(4.2) 1.S45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.010 CA :: 60.759 CB :: 62.387 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.239 HA :: 4.201 HB2 :: 3.868 HB3 :: 3.868 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 :: 114.023 Ave N Shift Values>> N :: 116.3(3.95) 1.M46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 M 0.44 A 0.05 C Shift Assignments>> C :: 178.160 CA :: 57.431 CB :: 31.525 CG :: 32.836 CE :: 18.279 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 :: 7.701 HA :: 4.378 HB2 :: 2.172 HB3 :: 1.790 HG2 :: 2.280 HG3 :: 2.353 HE1 :: 2.134 HE2 :: 2.134 HE3 :: 2.134 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 :: 120.436 Ave N Shift Values>> N :: 120.1(3.88) 1.V47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.95 C 0.04 C Shift Assignments>> C :: 178.254 CA :: 66.623 CB :: 31.526 CG1 :: 20.962 CG2 :: 23.143 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 :: 8.214 HA :: 3.503 HB :: 2.132 HG11 :: 0.875 HG12 :: 0.875 HG13 :: 0.875 HG21 :: 0.977 HG22 :: 0.977 HG23 :: 0.977 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 :: 118.659 Ave N Shift Values>> N :: 121.02(4.96) 1.H48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.38 H 0.32 C 0.28 C Shift Assignments>> C :: 177.906 CA :: 59.030 CB :: 29.795 CD2 :: 119.965 CE1 :: 137.529 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 :: 7.693 HA :: 4.477 HB2 :: 3.143 HB3 :: 3.221 HD2 :: 7.157 HE1 :: 8.092 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 :: 115.810 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.K49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 K 0.37 R 0.18 M 0.03 G 0.01 HN Overlap>> 1.F63 1.F63 C Shift Assignments>> C :: 178.005 CA :: 59.444 CB :: 33.298 CG :: 24.699 CD :: 29.958 CE :: 42.369 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 :: 8.825 HA :: 3.885 HB2 :: 1.861 HB3 :: 1.520 HG2 :: 1.084 HG3 :: 1.084 HD2 :: 1.478 HD3 :: 1.533 HE2 :: 2.768 HE3 :: 2.834 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 :: 120.864 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.H50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.37 C 0.34 W 0.27 C Shift Assignments>> C :: 175.114 CA :: 55.874 CB :: 31.080 CD2 :: 118.602 CE1 :: 139.159 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 :: 7.551 HA :: 4.813 HB2 :: 3.666 HB3 :: 3.038 HD2 :: 7.385 HE1 :: 7.734 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 :: 112.343 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.G51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.53 C 0.26 P 0.08 A 0.05 L 0.02 N 0.01 C Shift Assignments>> C :: 176.030 CA :: 47.735 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.672 HA2 :: 3.811 HA3 :: 4.018 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.362 Ave N Shift Values>> N :: 109.91(4.29) 1.L52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 C 0.29 R 0.09 G 0.01 C Shift Assignments>> C :: 176.852 CA :: 55.867 CB :: 42.124 CG :: 26.662 CD1 :: 26.171 CD2 :: 23.732 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 :: 8.171 HA :: 4.469 HB2 :: 1.936 HB3 :: 1.542 HG :: 1.918 HD11 :: 0.768 HD12 :: 0.768 HD13 :: 0.768 HD21 :: 1.063 HD22 :: 1.063 HD23 :: 1.063 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 115.909 Ave N Shift Values>> N :: 121.98(4.07) 1.E53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 E 0.32 M 0.14 K 0.07 Q 0.04 I 0.01 C Shift Assignments>> C :: 175.414 CA :: 53.974 CB :: 30.347 CG :: 36.234 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 :: 8.030 HA :: 4.727 HB2 :: 2.336 HB3 :: 2.415 HG2 :: 2.440 HG3 :: 2.475 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 :: 119.749 Ave N Shift Values>> N :: 120.68(3.68) 1.F54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.76 C 0.23 C Shift Assignments>> C :: 176.178 CA :: 62.954 CB :: 39.915 CD1 :: 131.704 CD2 :: 131.704 CE1 :: 131.704 CE2 :: 131.704 CZ :: 130.218 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.556 HA :: 4.140 HB2 :: 3.257 HB3 :: 2.656 HD1 :: 6.610 HD2 :: 6.610 HE1 :: 7.255 HE2 :: 7.255 HZ :: 7.326 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 :: 120.350 Ave N Shift Values>> N :: 120.69(4.18) 1.Y55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.63 C 0.36 C Shift Assignments>> C :: 178.001 CA :: 62.255 CB :: 37.278 CD1 :: 133.092 CD2 :: 133.092 CE1 :: 118.600 CE2 :: 118.600 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 :: 8.625 HA :: 4.115 HB2 :: 3.047 HB3 :: 3.252 HD1 :: 7.383 HD2 :: 7.383 HE1 :: 7.082 HE2 :: 7.082 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 :: 114.779 Ave N Shift Values>> N :: 120.79(4.69) 1.G56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.49 C 0.27 P 0.11 A 0.05 N 0.02 L 0.02 C Shift Assignments>> C :: 174.502 CA :: 47.822 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.661 HA2 :: 3.926 HA3 :: 4.052 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.033 Ave N Shift Values>> N :: 109.91(4.29) 1.Y57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.7 C 0.29 C Shift Assignments>> C :: 175.192 CA :: 62.051 CB :: 38.442 CD1 :: 132.381 CD2 :: 132.381 CE1 :: 117.695 CE2 :: 117.695 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 :: 8.358 HA :: 3.871 HB2 :: 2.670 HB3 :: 3.208 HD1 :: 6.743 HD2 :: 6.743 HE1 :: 6.779 HE2 :: 6.779 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 :: 120.838 Ave N Shift Values>> N :: 120.79(4.69) 1.I58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.87 C 0.12 C Shift Assignments>> C :: 177.459 CA :: 64.388 CB :: 37.215 CG1 :: 27.658 CG2 :: 18.824 CD1 :: 12.688 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 :: 7.729 HA :: 3.249 HB :: 2.061 HG12 :: 1.194 HG13 :: 1.379 HG21 :: 0.985 HG22 :: 0.985 HG23 :: 0.985 HD11 :: 0.763 HD12 :: 0.763 HD13 :: 0.763 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 :: 118.199 Ave N Shift Values>> N :: 121.6(4.72) 1.K59 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.39 C 0.37 K 0.19 G 0.02 M 0.01 HN Overlap>> 1.N79 1.N79 C Shift Assignments>> C :: 178.382 CA :: 58.983 CB :: 32.202 CG :: 26.662 CD :: 30.343 CE :: 42.615 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 :: 7.755 HA :: 4.364 HB2 :: 2.825(S) HB3 :: 1.930 HG2 :: 1.218 HG3 :: 1.926 HD2 :: 1.802 HD3 :: 2.074 HE2 :: 2.858 HE3 :: 2.858 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 :: 117.209 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L60 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.51 L 0.47 R 0.01 C Shift Assignments>> C :: 177.528 CA :: 58.466 CB :: 40.400 CG :: 26.431 CD1 :: 26.431 CD2 :: 23.977 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 :: 7.667 HA :: 2.983 HB2 :: 0.026(S) HB3 :: 1.675 HG :: 0.904 HD11 :: 0.388 HD12 :: 0.388 HD13 :: 0.388 HD21 :: -0.407(S) HD22 :: -0.407(S) HD23 :: -0.407(S) Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.181 Ave N Shift Values>> N :: 121.98(4.07) 1.I61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.88 V 0.06 I 0.04 C Shift Assignments>> C :: 178.465 CA :: 61.783 CB :: 34.515 CG1 :: 25.681 CG2 :: 18.534 CD1 :: 8.000 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 :: 7.749 HA :: 3.346 HB :: 1.882 HG12 :: 1.096 HG13 :: 0.597 HG21 :: 0.574 HG22 :: 0.574 HG23 :: 0.574 HD11 :: 0.574 HD12 :: 0.574 HD13 :: 0.574 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 :: 117.067 Ave N Shift Values>> N :: 121.6(4.72) 1.N62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 Y 0.24 F 0.16 E 0.13 I 0.08 N 0.04 D 0.03 M 0.02 L 0.01 C Shift Assignments>> C :: 177.445 CA :: 57.225 CB :: 37.896 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 :: 8.345 HA :: 4.450 HB2 :: 3.474 HB3 :: 2.706 HD21 :: 7.370 HD22 :: 6.002 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 :: 117.326 ND2 :: 116.420 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.F63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.74 C 0.25 HN Overlap>> 1.K49 1.K49 C Shift Assignments>> C :: 177.445 CA :: 62.184 CB :: 39.424 CD1 :: 132.104 CD2 :: 132.104 CE1 :: 130.839 CE2 :: 130.839 CZ :: 129.771 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 :: 8.854 HA :: 3.693 HB2 :: 2.330 HB3 :: 3.242 HD1 :: 6.821 HD2 :: 6.821 HE1 :: 7.371 HE2 :: 7.371 HZ :: 7.428 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 :: 120.894 Ave N Shift Values>> N :: 120.69(4.18) 1.I64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.87 C 0.12 HN Overlap>> 1.R13 1.V110 1.R13 1.V110 C Shift Assignments>> C :: 179.643 CA :: 65.115 CB :: 37.461 CG1 :: 29.376 CG2 :: 19.299 CD1 :: 14.637 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 :: 8.284 HA :: 3.050 HB :: 1.741 HG12 :: 0.782 HG13 :: 2.243 HG21 :: 0.407 HG22 :: 0.407 HG23 :: 0.407 HD11 :: 0.623 HD12 :: 0.623 HD13 :: 0.623 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 120.256 Ave N Shift Values>> N :: 121.6(4.72) 1.R65 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.43 C 0.39 G 0.11 K 0.05 C Shift Assignments>> C :: 178.326 CA :: 58.256 CB :: 30.833 CG :: 26.668 CD :: 43.693 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 :: 8.658 HA :: 3.818 HB2 :: 2.190 HB3 :: 1.512 HG2 :: 1.784 HG3 :: 1.926 HD2 :: 2.828 HD3 :: 3.027 HE :: 9.065(S) Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 118.092 NE :: 86.915 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.L66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.42 C 0.29 R 0.14 G 0.13 C Shift Assignments>> C :: 178.326 CA :: 57.019 CB :: 43.754 CG :: 27.153 CD1 :: 23.962 CD2 :: 25.795 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 :: 8.337 HA :: 4.179 HB2 :: 1.703 HB3 :: 1.821 HG :: 1.575 HD11 :: 0.988 HD12 :: 0.988 HD13 :: 0.988 HD21 :: 1.029 HD22 :: 1.029 HD23 :: 1.029 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 :: 117.554 Ave N Shift Values>> N :: 121.98(4.07) 1.K67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.34 K 0.33 C 0.28 G 0.01 M 0.01 C Shift Assignments>> C :: 176.519 CA :: 54.809 CB :: 31.489 CG :: 24.699 CD :: 27.737 CE :: 42.347 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 :: 8.183 HA :: 4.087 HB2 :: 1.375 HB3 :: 0.998 HG2 :: 1.084 HG3 :: 1.084 HD2 :: 1.414 HD3 :: 1.502 HE2 :: 3.028 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 :: 114.096 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.N68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.29 C 0.18 D 0.17 Y 0.13 F 0.11 L 0.04 E 0.02 I 0.01 C Shift Assignments>> C :: 176.519 CA :: 54.475 CB :: 38.730 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 :: 7.990 HA :: 4.579 HB2 :: 2.617 HB3 :: 2.784 HD21 :: 7.380 HD22 :: 6.516 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 115.190 ND2 :: 111.709 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.P69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.6 C 0.39 C Shift Assignments>> C :: 176.942 CA :: 62.339 CB :: 33.412 CG :: 27.889 CD :: 51.431 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 :: 4.577 HB2 :: 2.245 HB3 :: 2.021 HG2 :: 1.860 HG3 :: 2.117 HD2 :: 2.984 HD3 :: 3.901 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.T70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.81 C 0.17 C Shift Assignments>> C :: 176.445 CA :: 60.326 CB :: 71.161 CG2 :: 22.206 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 :: 8.138 HA :: 4.565 HB :: 4.814 HG21 :: 1.424 HG22 :: 1.424 HG23 :: 1.424 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 108.304 Ave N Shift Values>> N :: 115.7(5.05) 1.V71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.97 C 0.02 C Shift Assignments>> C :: 177.842 CA :: 67.127 CB :: 31.274 CG1 :: 21.263 CG2 :: 21.753 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 :: 8.702 HA :: 3.076 HB :: 1.668 HG11 :: 0.833 HG12 :: 0.833 HG13 :: 0.833 HG21 :: 0.143 HG22 :: 0.143 HG23 :: 0.143 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 :: 122.142 Ave N Shift Values>> N :: 121.02(4.96) 1.E72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.35 C 0.32 E 0.25 K 0.04 C Shift Assignments>> C :: 179.686 CA :: 60.191 CB :: 28.871 CG :: 36.738 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 :: 8.583 HA :: 4.007 HB2 :: 2.120 HB3 :: 1.967 HG2 :: 2.307 HG3 :: 2.392 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 :: 118.560 Ave N Shift Values>> N :: 120.68(3.68) 1.Y73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.61 C 0.38 C Shift Assignments>> C :: 179.091 CA :: 61.268 CB :: 38.329 CD1 :: 133.723 CD2 :: 133.723 CE1 :: 118.352 CE2 :: 118.352 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 :: 8.142 HA :: 4.206 HB2 :: 3.204 HB3 :: 3.268 HD1 :: 7.214 HD2 :: 7.214 HE1 :: 6.882 HE2 :: 6.882 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 :: 120.943 Ave N Shift Values>> N :: 120.79(4.69) 1.M74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 M 0.36 A 0.12 C Shift Assignments>> C :: 179.091 CA :: 55.839 CB :: 29.362 CG :: 31.585 CE :: 16.703 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 :: 8.074 HA :: 4.572 HB2 :: 2.216 HB3 :: 2.565 HG2 :: 3.133 HG3 :: 2.671 HE1 :: 2.051 HE2 :: 2.051 HE3 :: 2.051 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 116.880 Ave N Shift Values>> N :: 120.1(3.88) 1.N75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.32 C 0.19 D 0.14 Y 0.13 F 0.1 E 0.03 L 0.03 I 0.01 M 0.01 C Shift Assignments>> C :: 176.038 CA :: 54.372 CB :: 38.442 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 :: 8.671 HA :: 4.733 HB2 :: 2.861 HB3 :: 2.954 HD21 :: 7.573 HD22 :: 6.771 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> ND2 :: 110.162 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.S76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.947 CA :: 58.313 CB :: 64.457 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.642 HA :: 4.593 HB2 :: 3.940 HB3 :: 4.017 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 :: 114.466 Ave N Shift Values>> N :: 116.3(3.95) 1.I77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.66 C 0.33 C Shift Assignments>> C :: 175.133 CA :: 60.939 CB :: 38.187 CG1 :: 27.819 CG2 :: 18.808 CD1 :: 13.409 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 :: 7.066 HA :: 3.835 HB :: 1.838 HG12 :: 1.454 HG13 :: 1.454 HG21 :: 0.719 HG22 :: 0.719 HG23 :: 0.719 HD11 :: 0.716 HD12 :: 0.716 HD13 :: 0.716 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 122.501 Ave N Shift Values>> N :: 121.6(4.72) 1.Y78 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 :: 173.002 CA :: 56.830 CB :: 40.041 CD1 :: 133.827 CD2 :: 133.827 CE1 :: 118.114 CE2 :: 118.114 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 :: 8.185 HA :: 4.717 HB2 :: 2.950 HB3 :: 3.068 HD1 :: 7.201 HD2 :: 7.201 HE1 :: 6.808 HE2 :: 6.808 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 125.899 Ave N Shift Values>> N :: 120.79(4.69) 1.N79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.45 D 0.24 C 0.13 Y 0.05 L 0.05 F 0.04 HN Overlap>> 1.K59 1.K59 C Shift Assignments>> C :: 173.002 CA :: 52.186 CB :: 39.424 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 :: 7.852 HA :: 4.444 HB2 :: 2.581 HB3 :: 2.641 HD21 :: 6.932 HD22 :: 7.545 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 :: 117.153 ND2 :: 113.197 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.P80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.73 P 0.25 C Shift Assignments>> C :: 176.242 CA :: 61.868 CB :: 33.988 CG :: 24.799 CD :: 50.491 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 :: 4.633 HB2 :: 1.960 HB3 :: 2.233 HG2 :: 1.879 HG3 :: 1.879 HD2 :: 3.450 HD3 :: 3.578 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.V81 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.88 V 0.08 A 0.02 C Shift Assignments>> C :: 176.242 CA :: 58.724 CB :: 29.467 CG1 :: 22.259 CG2 :: 17.827 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 :: 8.343 HA :: 3.721 HB :: -0.395(S) HG11 :: 0.206 HG12 :: 0.206 HG13 :: 0.206 HG21 :: -0.084 HG22 :: -0.084 HG23 :: -0.084 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 :: 118.641 Ave N Shift Values>> N :: 121.02(4.96) 1.P82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.87 C 0.12 C Shift Assignments>> C :: 175.935 CA :: 63.967 CB :: 31.274 CG :: 27.326 CD :: 50.520 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 :: 4.243 HB2 :: 1.840 HB3 :: 2.188 HG2 :: 2.227 HG3 :: 1.185 HD2 :: 2.888 HD3 :: 3.400 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.W83 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> W 0.56 C 0.41 H 0.01 C Shift Assignments>> C :: 174.440 CA :: 57.209 CB :: 26.421 CD1 :: 127.530 CE3 :: 117.670 CZ2 :: 114.612 CZ3 :: 121.642 CH2 :: 123.711 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 5.568(A) HA :: 4.448 HB2 :: 3.303 HB3 :: 2.109 HD1 :: 6.913 HE1 :: 9.944 HE3 :: 6.569 HZ2 :: 6.850 HZ3 :: 6.640 HH2 :: 5.955 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 :: 111.808 NE1 :: 132.765 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.E84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 E 0.28 K 0.15 Q 0.08 I 0.07 R 0.01 C Shift Assignments>> C :: 176.155 CA :: 56.390 CB :: 27.970 CG :: 35.988 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 6.346 HA :: 4.296 HB2 :: 1.485 HB3 :: 2.011 HG2 :: 1.944 HG3 :: 2.087 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.985 Ave N Shift Values>> N :: 120.68(3.68) 1.K85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 K 0.33 R 0.24 G 0.01 M 0.01 C Shift Assignments>> C :: 177.301 CA :: 55.905 CB :: 35.445 CG :: 25.204 CD :: 29.116 CE :: 42.369 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 :: 8.136 HA :: 4.468 HB2 :: 1.670 HB3 :: 2.048 HG2 :: 1.456 HG3 :: 1.525 HD2 :: 1.742 HD3 :: 1.742 HE2 :: 2.861 HE3 :: 3.028 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 :: 120.756 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.D86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.24 Y 0.24 C 0.18 D 0.09 L 0.08 I 0.06 K 0.04 N 0.02 C Shift Assignments>> C :: 179.055 CA :: 57.357 CB :: 39.915 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 :: 8.780 HA :: 4.264 HB2 :: 2.578 HB3 :: 2.658 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 :: 122.397 Ave N Shift Values>> N :: 120.73(4.2) 1.E87 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.3 E 0.27 K 0.15 Q 0.12 I 0.09 M 0.02 R 0.01 C Shift Assignments>> C :: 178.070 CA :: 58.879 CB :: 29.018 CG :: 35.313 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 :: 8.821 HA :: 4.001 HB2 :: 1.740 HB3 :: 1.562 HG2 :: 1.614(S) HG3 :: 1.685 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.475 Ave N Shift Values>> N :: 120.68(3.68) 1.Y88 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Y 0.49 C 0.48 H 0.02 C Shift Assignments>> C :: 174.118 CA :: 58.907 CB :: 36.485 CD1 :: 132.490 CD2 :: 132.490 CE1 :: 118.795 CE2 :: 118.795 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 :: 7.479 HA :: 4.857 HB2 :: 3.108 HB3 :: 4.260(S) HD1 :: 7.276 HD2 :: 7.276 HE1 :: 6.988 HE2 :: 6.988 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 116.872 Ave N Shift Values>> N :: 120.79(4.69) 1.L89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 C 0.3 R 0.14 G 0.02 C Shift Assignments>> C :: 177.921 CA :: 56.058 CB :: 42.612 CG :: 27.655 CD1 :: 25.021 CD2 :: 23.962 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 :: 7.790 HA :: 4.274 HB2 :: 1.587 HB3 :: 1.866 HG :: 1.641 HD11 :: 0.959 HD12 :: 0.959 HD13 :: 0.959 HD21 :: 1.075 HD22 :: 1.075 HD23 :: 1.075 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 :: 117.681 Ave N Shift Values>> N :: 121.98(4.07) 1.K90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.45 C 0.31 R 0.15 M 0.04 G 0.01 C Shift Assignments>> C :: 177.921 CA :: 53.904 CB :: 32.556 CG :: 24.468 CD :: 29.376 CE :: 42.137 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 :: 7.058 HA :: 4.508 HB2 :: 1.790 HB3 :: 1.790 HG2 :: 1.374 HG3 :: 1.470 HD2 :: 1.691 HD3 :: 1.691 HE2 :: 3.005 HE3 :: 3.005 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 :: 121.439 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.P91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.8 C 0.19 C Shift Assignments>> C :: 178.098 CA :: 63.159 CB :: 32.056 CG :: 27.850 CD :: 50.750 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.464 HB2 :: 2.278 HB3 :: 1.784 HG2 :: 2.076 HG3 :: 2.153 HD2 :: 3.639 HD3 :: 4.052 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.V92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.88 C 0.11 C Shift Assignments>> C :: 176.636 CA :: 65.178 CB :: 32.307 CG1 :: 21.017 CG2 :: 23.922 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 :: 7.658 HA :: 3.685 HB :: 2.006 HG11 :: 0.788 HG12 :: 0.788 HG13 :: 0.788 HG21 :: 1.187 HG22 :: 1.187 HG23 :: 1.187 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 :: 128.087 Ave N Shift Values>> N :: 121.02(4.96) 1.L93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.68 C 0.2 G 0.04 R 0.03 A 0.02 C Shift Assignments>> C :: 176.088 CA :: 52.978 CB :: 42.615 CG :: 27.167 CD1 :: 23.717 CD2 :: 24.453 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 :: 8.834 HA :: 4.570 HB2 :: 1.550 HB3 :: 1.550 HG :: 1.470 HD11 :: 0.818 HD12 :: 0.818 HD13 :: 0.818 HD21 :: 0.825 HD22 :: 0.825 HD23 :: 0.825 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 :: 122.220 Ave N Shift Values>> N :: 121.98(4.07) 1.E94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.35 C 0.34 I 0.1 K 0.09 M 0.04 Q 0.04 C Shift Assignments>> C :: 176.745 CA :: 57.889 CB :: 29.623 CG :: 36.283 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 :: 8.410 HA :: 3.906 HB2 :: 1.910 HB3 :: 1.910 HG2 :: 2.203 HG3 :: 2.267 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 :: 123.464 Ave N Shift Values>> N :: 120.68(3.68) 1.D95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.25 N 0.18 C 0.14 Y 0.12 F 0.12 L 0.1 K 0.02 I 0.01 C Shift Assignments>> C :: 175.147 CA :: 54.722 CB :: 39.861 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 :: 8.732 HA :: 4.308 HB2 :: 2.828 HB3 :: 2.648 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 :: 120.693 Ave N Shift Values>> N :: 120.73(4.2) 1.D96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.25 L 0.21 K 0.14 C 0.1 F 0.07 N 0.07 Y 0.06 R 0.05 C Shift Assignments>> C :: 179.999 CA :: 54.309 CB :: 41.512 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 :: 7.612 HA :: 4.294 HB2 :: 2.882 HB3 :: 3.030 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 :: 117.312 Ave N Shift Values>> N :: 120.73(4.2) 1.L97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 C 0.33 R 0.07 G 0.01 C Shift Assignments>> C :: 180.693 CA :: 57.553 CB :: 42.124 CG :: 26.907 CD1 :: 25.026 CD2 :: 23.000 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 :: 8.539 HA :: 4.057 HB2 :: 1.491 HB3 :: 1.491 HG :: 1.749 HD11 :: 0.721 HD12 :: 0.721 HD13 :: 0.721 HD21 :: 0.854 HD22 :: 0.854 HD23 :: 0.854 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 129.176 Ave N Shift Values>> N :: 121.98(4.07) 1.L98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.69 L 0.26 A 0.03 C Shift Assignments>> C :: 179.879 CA :: 57.556 CB :: 39.356 CG :: 26.431 CD1 :: 26.154 CD2 :: 21.508 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 :: 8.864 HA :: 4.030 HB2 :: 1.872 HB3 :: 1.482 HG :: 1.704 HD11 :: 0.706 HD12 :: 0.706 HD13 :: 0.706 HD21 :: 0.324 HD22 :: 0.324 HD23 :: 0.324 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 115.777 Ave N Shift Values>> N :: 121.98(4.07) 1.L99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 C 0.33 R 0.05 A 0.02 C Shift Assignments>> C :: 176.730 CA :: 55.822 CB :: 41.125 CG :: 27.167 CD1 :: 26.009 CD2 :: 23.080 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 :: 7.448 HA :: 4.471 HB2 :: 1.791 HB3 :: 2.049 HG :: 1.640 HD11 :: 1.285 HD12 :: 1.285 HD13 :: 1.285 HD21 :: 0.865 HD22 :: 0.865 HD23 :: 0.865 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 :: 116.381 Ave N Shift Values>> N :: 121.98(4.07) 1.Q100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.28 K 0.25 C 0.24 E 0.09 M 0.06 R 0.05 C Shift Assignments>> C :: 174.781 CA :: 54.885 CB :: 29.031 CG :: 33.791 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 :: 7.184 HA :: 4.597 HB2 :: 2.444 HB3 :: 1.967 HG2 :: 2.425 HG3 :: 2.425 HE21 :: 6.904 HE22 :: 7.432 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 :: 116.193 NE2 :: 112.202 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.F101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.62 C 0.37 C Shift Assignments>> C :: 173.451 CA :: 57.624 CB :: 41.172 CD1 :: 132.094 CD2 :: 132.094 CE1 :: 131.037 CE2 :: 131.037 CZ :: 129.603 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 :: 7.183 HA :: 4.481 HB2 :: 3.007 HB3 :: 3.102 HD1 :: 6.987 HD2 :: 6.987 HE1 :: 7.109 HE2 :: 7.109 HZ :: 7.159 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 122.097 Ave N Shift Values>> N :: 120.69(4.18) 1.D102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 N 0.24 L 0.12 C 0.11 F 0.05 Y 0.05 K 0.04 C Shift Assignments>> C :: 175.367 CA :: 52.623 CB :: 40.651 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 :: 7.860 HA :: 4.522 HB2 :: 2.589 HB3 :: 2.303 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 :: 126.425 Ave N Shift Values>> N :: 120.73(4.2) 1.V103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.8 C 0.19 C Shift Assignments>> C :: 176.163 CA :: 63.076 CB :: 31.781 CG1 :: 20.772 CG2 :: 21.263 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 :: 7.832 HA :: 3.485 HB :: 1.680 HG11 :: 0.658 HG12 :: 0.658 HG13 :: 0.658 HG21 :: 0.718 HG22 :: 0.718 HG23 :: 0.718 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 :: 122.826 Ave N Shift Values>> N :: 121.02(4.96) 1.E104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.34 I 0.18 K 0.07 M 0.01 Q 0.01 C Shift Assignments>> C :: 177.723 CA :: 58.160 CB :: 28.994 CG :: 36.800 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 :: 8.234 HA :: 3.752 HB2 :: 1.884 HB3 :: 1.930 HG2 :: 2.165 HG3 :: 2.288 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.183 Ave N Shift Values>> N :: 120.68(3.68) 1.D105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.23 F 0.14 C 0.14 Y 0.14 L 0.13 N 0.1 K 0.06 I 0.01 C Shift Assignments>> C :: 176.779 CA :: 55.416 CB :: 40.298 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 :: 7.819 HA :: 4.440 HB2 :: 2.508 HB3 :: 2.623 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 118.618 Ave N Shift Values>> N :: 120.73(4.2) 1.L106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 C 0.28 R 0.08 A 0.03 HN Overlap>> 1.L37 1.L37 C Shift Assignments>> C :: 177.117 CA :: 55.111 CB :: 41.769 CG :: 26.922 CD1 :: 26.171 CD2 :: 23.025 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 :: 7.712 HA :: 4.252 HB2 :: 1.653 HB3 :: 1.412 HG :: 1.551 HD11 :: 0.773 HD12 :: 0.773 HD13 :: 0.773 HD21 :: 0.767 HD22 :: 0.767 HD23 :: 0.767 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 :: 118.469 Ave N Shift Values>> N :: 121.98(4.07) 1.Y107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.54 C 0.44 C Shift Assignments>> C :: 175.475 CA :: 57.458 CB :: 38.515 CD1 :: 132.925 CD2 :: 132.925 CE1 :: 118.099 CE2 :: 118.099 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 :: 7.724 HA :: 4.549 HB2 :: 2.950 HB3 :: 3.018 HD1 :: 7.073 HD2 :: 7.073 HE1 :: 6.727 HE2 :: 6.727 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 :: 119.565 Ave N Shift Values>> N :: 120.79(4.69) 1.E108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.31 M 0.12 K 0.09 Q 0.07 I 0.01 C Shift Assignments>> C :: 175.475 CA :: 54.034 CB :: 30.100 CG :: 36.002 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 :: 8.183 HA :: 4.533 HB2 :: 1.833 HB3 :: 1.955 HG2 :: 2.209 HG3 :: 2.209 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 :: 123.747 Ave N Shift Values>> N :: 120.68(3.68) 1.P109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.8 C 0.19 C Shift Assignments>> C :: 176.972 CA :: 63.037 CB :: 32.025 CG :: 27.326 CD :: 50.767 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 :: 4.419 HB2 :: 2.279 HB3 :: 1.885 HG2 :: 2.009 HG3 :: 2.009 HD2 :: 3.701 HD3 :: 3.640 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.V110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.73 C 0.26 HN Overlap>> 1.R13 1.R13 1.I64 1.I64 C Shift Assignments>> C :: 176.345 CA :: 62.297 CB :: 32.754 CG1 :: 20.526 CG2 :: 21.321 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 :: 8.262 HA :: 4.103 HB :: 2.067 HG11 :: 0.949 HG12 :: 0.949 HG13 :: 0.949 HG21 :: 0.933 HG22 :: 0.933 HG23 :: 0.933 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120.357 Ave N Shift Values>> N :: 121.02(4.96) 1.S111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.225 CA :: 58.076 CB :: 64.009 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.403 HA :: 4.526 HB2 :: 3.824 HB3 :: 3.824 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 :: 119.732 Ave N Shift Values>> N :: 116.3(3.95) 1.T112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.85 C 0.14 C Shift Assignments>> C :: 174.225 CA :: 59.561 CB :: 69.856 CG2 :: 21.278 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 :: 8.325 HA :: 4.600 HB :: 4.124 HG21 :: 1.206 HG22 :: 1.206 HG23 :: 1.206 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 118.018 Ave N Shift Values>> N :: 115.7(5.05) 1.P113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.81 C 0.18 C Shift Assignments>> C :: 176.650 CA :: 63.291 CB :: 31.956 CG :: 27.243 CD :: 51.027 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 :: 4.357 HB2 :: 2.176 HB3 :: 1.719 HG2 :: 1.896 HG3 :: 1.896 HD2 :: 3.621 HD3 :: 3.777 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.F114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.56 C 0.43 C Shift Assignments>> C :: 175.826 CA :: 57.819 CB :: 39.305 CD1 :: 131.726 CD2 :: 131.726 CE1 :: 131.706 CE2 :: 131.706 CZ :: 129.817 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 :: 8.241 HA :: 4.601 HB2 :: 3.049 HB3 :: 3.125 HD1 :: 7.245 HD2 :: 7.245 HE1 :: 7.331 HE2 :: 7.331 HZ :: 7.276 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 :: 120.109 Ave N Shift Values>> N :: 120.69(4.18) 1.S115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.826 CA :: 57.945 CB :: 63.977 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.115 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 :: 117.471 Ave N Shift Values>> N :: 116.3(3.95) 1.S116 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable C Shift Assignments>> C :: 175.826 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) 1.G117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.52 L 0.18 R 0.13 C 0.1 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 175.826 CA :: 44.636 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.218 HA2 :: 4.115 HA3 :: 4.115 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.591 Ave N Shift Values>> N :: 109.91(4.29) 1.P118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.81 C 0.18 C Shift Assignments>> C :: 177.401 CA :: 63.230 CB :: 32.175 CG :: 27.156 CD :: 49.801 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 :: 4.452 HB2 :: 2.275 HB3 :: 1.786 HG2 :: 2.002 HG3 :: 2.002 HD2 :: 3.614 HD3 :: 3.614 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.S119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.685 CA :: 58.255 CB :: 63.674 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.524 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 :: 116.472 Ave N Shift Values>> N :: 116.3(3.95) 1.S120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.685 CA :: 58.407 CB :: 63.981 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.331 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 :: 117.853 Ave N Shift Values>> N :: 116.3(3.95) 1.G121 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable C Shift Assignments>> C :: 174.685 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) 2.ZN1 Overall Status: Residue type ZN not supported. ########################################################################### Overall Results: #Consistent: 109 #Clerical: 0 #Suspicious: 11 #Anomalous: 1 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 113 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 8 Shift Relative Order (SRO) Results: #Consistent: 121 #Suspicious: 0 C Shift Results: #Consistent: 541 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent: 795 #Duplicate: 0 #Unknown: 0 #Suspicious: 13 #Anomalous: 1 N Shift Results: #Consistent: 112 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.L19 H = 6.044(S), Expected = 8.22, Std = 0.6500, ChiSquare = 8.1487e-04 1.F20 HB3 = 0.973(S), Expected = 2.97, Std = 0.3800, ChiSquare = 1.4781e-07 1.T31 HB = 2.741(S), Expected = 4.17, Std = 0.3700, ChiSquare = 1.1239e-04 1.H34 CD2 = 131.000(S), Expected = 119.84, Std = 3.3000, ChiSquare = 7.2008e-04 1.E38 HB2 = 1.162(S), Expected = 2.04, Std = 0.2200, ChiSquare = 6.5821e-05 1.K59 HB2 = 2.825(S), Expected = 1.79, Std = 0.2500, ChiSquare = 3.4731e-05 1.L60 HB2 = 0.026(S), Expected = 1.63, Std = 0.3400, ChiSquare = 2.3859e-06 1.L60 HD21 = -0.407(S), Expected = 0.76, Std = 0.2800, ChiSquare = 3.0748e-05 1.L60 HD22 = -0.407(S), Expected = 0.76, Std = 0.2800, ChiSquare = 3.0748e-05 1.L60 HD23 = -0.407(S), Expected = 0.76, Std = 0.2800, ChiSquare = 3.0748e-05 1.R65 HE = 9.065(S), Expected = 7.32, Std = 0.5200, ChiSquare = 7.9145e-04 1.V81 HB = -0.395(S), Expected = 1.99, Std = 0.3300, ChiSquare = 4.9279e-13 1.W83 H = 5.568(A), Expected = 8.35, Std = 0.8400, ChiSquare = 9.2663e-04 1.E87 HG2 = 1.614(S), Expected = 2.31, Std = 0.2100, ChiSquare = 9.1878e-04 1.Y88 HB3 = 4.260(S), Expected = 2.91, Std = 0.3700, ChiSquare = 2.6362e-04