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: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 173.943 CA :: 58.445 CB :: 63.921 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 4.459 HB2 :: 3.857 HB3 :: 3.857 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) 1.G4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.06 C 0.03 C Shift Assignments>> C :: 173.916 CA :: 46.233 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.042 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 116.858 Ave N Shift Values>> N :: 109.67(3.87) 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 0.83 L 0.09 C 0.02 R 0.01 C Shift Assignments>> C :: 174.073 CA :: 45.290 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> HA2 :: 3.891 HA3 :: 3.891 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 1.E8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.33 M 0.09 K 0.07 Q 0.06 I 0.03 HN Overlap>> 2.D59 2.D59 C Shift Assignments>> C :: 176.199 CA :: 56.750 CB :: 30.188 CG :: 36.191 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.183 HA :: 4.154 HB2 :: 1.829 HB3 :: 1.829 HG2 :: 2.093 HG3 :: 2.093 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.619 Ave N Shift Values>> N :: 120.67(3.48) 1.Y9 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 :: 176.215 CA :: 58.230 CB :: 38.741 CD1 :: 133.205 CD2 :: 133.205 CE1 :: 118.257 CE2 :: 118.257 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.257 HA :: 4.518 HB2 :: 2.872 HB3 :: 3.042 HD1 :: 7.081 HD2 :: 7.081 HE1 :: 6.812 HE2 :: 6.812 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 120.758 Ave N Shift Values>> N :: 120.52(4.2) 1.G10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 L 0.1 C 0.03 R 0.01 F 0.01 C Shift Assignments>> C :: 173.851 CA :: 45.208 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.297 HA2 :: 3.854 HA3 :: 3.854 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.694 Ave N Shift Values>> N :: 109.67(3.87) 1.Y11 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 :: 175.964 CA :: 58.196 CB :: 38.734 CD1 :: 133.205 CD2 :: 133.205 CE1 :: 118.140 CE2 :: 118.140 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.903 HA :: 4.518 HB2 :: 2.946 HB3 :: 3.042 HD1 :: 7.084 HD2 :: 7.084 HE1 :: 6.808 HE2 :: 6.808 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 119.715 Ave N Shift Values>> N :: 120.52(4.2) 1.E12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.28 C 0.26 M 0.17 K 0.16 E 0.09 C Shift Assignments>> C :: 175.902 CA :: 56.807 CB :: 30.383 CG :: 33.889 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.435 HA :: 4.171 HB2 :: 1.882 HB3 :: 1.975 HG2 :: 2.188 HG3 :: 2.188 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.267 Ave N Shift Values>> N :: 120.67(3.48) 1.D13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 L 0.21 N 0.12 F 0.09 K 0.08 Y 0.07 C 0.05 HN Overlap>> 1.E16 1.R15 1.E16 1.R15 C Shift Assignments>> C :: 176.314 CA :: 54.120 CB :: 41.043 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.270 HA :: 4.513 HB2 :: 2.679 HB3 :: 2.564 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 121.128 Ave N Shift Values>> N :: 120.65(3.86) 1.L14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.65 C 0.29 R 0.02 A 0.02 C Shift Assignments>> C :: 177.646 CA :: 55.380 CB :: 41.818 CG :: 26.899 CD1 :: 25.090 CD2 :: 23.363 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.163 HA :: 4.301 HB2 :: 1.621 HB3 :: 1.621 HG :: 1.598 HD11 :: 0.833 HD12 :: 0.833 HD13 :: 0.833 HD21 :: 0.833 HD22 :: 0.833 HD23 :: 0.833 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.013 Ave N Shift Values>> N :: 121.86(3.9) 1.R15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.48 C 0.4 G 0.06 K 0.04 HN Overlap>> 1.D13 1.D13 C Shift Assignments>> C :: 176.729 CA :: 56.728 CB :: 30.492 CG :: 26.899 CD :: 43.346 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.218 HA :: 4.200 HB2 :: 1.777 HB3 :: 1.777 HG2 :: 1.581 HG3 :: 1.581 HD2 :: 3.117 HD3 :: 3.117 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 121.161 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.E16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.34 K 0.07 M 0.07 Q 0.05 I 0.04 HN Overlap>> 1.D13 1.D13 C Shift Assignments>> C :: 176.754 CA :: 56.964 CB :: 30.032 CG :: 36.274 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.355 HA :: 4.249 HB2 :: 1.983 HB3 :: 1.983 HG2 :: 2.236 HG3 :: 2.236 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.071 Ave N Shift Values>> N :: 120.67(3.48) 1.S17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.S20 1.S20 C Shift Assignments>> C :: 174.771 CA :: 58.559 CB :: 63.740 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.295 HA :: 4.452 HB2 :: 3.876 HB3 :: 3.876 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.408 Ave N Shift Values>> N :: 116.28(3.52) 1.S18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.I58 1.I58 C Shift Assignments>> C :: 174.909 CA :: 59.084 CB :: 63.631 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.348 HA :: 4.372 HB2 :: 3.862 HB3 :: 3.862 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 117.953 Ave N Shift Values>> N :: 116.28(3.52) 1.N19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.47 D 0.18 C 0.09 Y 0.08 F 0.08 L 0.05 HN Overlap>> 1.L26 1.L26 C Shift Assignments>> C :: 175.475 CA :: 53.543 CB :: 38.823 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.229 HA :: 4.679 HB2 :: 2.778 HB3 :: 2.851 HD21 :: 7.613 HD22 :: 6.901 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 123.300 ND2 :: 112.676 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.S20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.S17 1.S17 C Shift Assignments>> C :: 174.880 CA :: 59.052 CB :: 63.575 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.244 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.454 Ave N Shift Values>> N :: 116.28(3.52) 1.L21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> L 0.63 C 0.29 R 0.03 A 0.01 C Shift Assignments>> C :: 177.496 CA :: 55.516 CB :: 42.030 CG :: 26.981 CD1 :: 25.172 CD2 :: 23.445 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> HA :: 4.240 HB2 :: 1.576 HB3 :: 1.576 HG :: 1.581 HD11 :: 0.817 HD12 :: 0.817 HD13 :: 0.817 HD21 :: 0.817 HD22 :: 0.817 HD23 :: 0.817 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) 1.L22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.65 C 0.29 R 0.02 A 0.01 C Shift Assignments>> C :: 177.337 CA :: 55.360 CB :: 41.955 CG :: 26.981 CD1 :: 25.008 CD2 :: 23.445 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.939 HA :: 4.183 HB2 :: 1.512 HB3 :: 1.512 HG :: 1.514 HD11 :: 0.842 HD12 :: 0.842 HD13 :: 0.842 HD21 :: 0.842 HD22 :: 0.842 HD23 :: 0.842 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.319 Ave N Shift Values>> N :: 121.86(3.9) 1.N23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.48 D 0.14 C 0.11 Y 0.09 F 0.08 L 0.04 E 0.01 M 0.01 HN Overlap>> 2.L63 2.L63 C Shift Assignments>> C :: 174.978 CA :: 53.661 CB :: 38.502 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.185 HA :: 4.565 HB2 :: 2.700 HB3 :: 2.766 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 117.737 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.H24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.55 C 0.44 HN Overlap>> 1.L59 1.L59 C Shift Assignments>> C :: 177.338 CA :: 56.330 CB :: 30.549 CD2 :: 119.995 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 7.947 HA :: 4.554 HB2 :: 3.058 HB3 :: 3.132 HD2 :: 7.020 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 118.022 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.Q25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.32 K 0.28 C 0.22 E 0.06 R 0.05 M 0.04 C Shift Assignments>> C :: 175.624 CA :: 55.521 CB :: 28.950 CG :: 33.807 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.258 HA :: 4.270 HB2 :: 1.976 HB3 :: 1.976 HG2 :: 2.236 HG3 :: 2.236 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 121.000 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 C 0.2 G 0.13 R 0.12 A 0.02 HN Overlap>> 1.N19 1.N19 C Shift Assignments>> C :: 177.992 CA :: 54.382 CB :: 43.721 CG :: 27.015 CD1 :: 26.363 CD2 :: 23.470 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.285 HA :: 4.626 HB2 :: 1.731 HB3 :: 1.545 HG :: 1.753 HD11 :: 0.881 HD12 :: 0.881 HD13 :: 0.881 HD21 :: 0.945 HD22 :: 0.945 HD23 :: 0.945 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.272 Ave N Shift Values>> N :: 121.86(3.9) 1.S27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.248 CA :: 57.414 CB :: 64.656 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.238 HA :: 4.436 HB2 :: 4.302 HB3 :: 4.094 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 119.150 Ave N Shift Values>> N :: 116.28(3.52) 1.E28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 I 0.31 E 0.25 K 0.02 C Shift Assignments>> C :: 179.468 CA :: 60.354 CB :: 29.370 CG :: 36.808 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.977 HA :: 3.984 HB2 :: 2.059 HB3 :: 2.059 HG2 :: 2.302 HG3 :: 2.395 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.307 Ave N Shift Values>> N :: 120.67(3.48) 1.I29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.8 C 0.19 C Shift Assignments>> C :: 177.670 CA :: 63.692 CB :: 38.161 CG1 :: 28.869 CG2 :: 17.113 CD1 :: 12.840 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.959 HA :: 3.896 HB :: 1.706 HG12 :: 1.193 HG13 :: 1.531 HG21 :: 0.832 HG22 :: 0.832 HG23 :: 0.832 HD11 :: 0.838 HD12 :: 0.838 HD13 :: 0.838 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 118.834 Ave N Shift Values>> N :: 121.46(4.28) 1.D30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.26 Y 0.24 D 0.12 L 0.12 C 0.11 I 0.05 K 0.03 N 0.03 C Shift Assignments>> C :: 177.959 CA :: 57.131 CB :: 40.259 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.639 HA :: 4.210 HB2 :: 2.582 HB3 :: 2.776 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 123.350 Ave N Shift Values>> N :: 120.65(3.86) 1.Q31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 K 0.21 Q 0.21 E 0.14 I 0.05 R 0.02 C Shift Assignments>> C :: 177.218 CA :: 59.226 CB :: 28.726 CG :: 34.533 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.822 HA :: 3.751 HB2 :: 2.087 HB3 :: 2.087 HG2 :: 2.238 HG3 :: 2.238 HE21 :: 6.769 HE22 :: 6.904 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 121.929 NE2 :: 111.828 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.58 A 0.34 I 0.03 C 0.02 C Shift Assignments>> C :: 175.860 CA :: 55.174 CB :: 17.860 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.570 HA :: 4.177 HB1 :: 1.502 HB2 :: 1.502 HB3 :: 1.502 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.286 Ave N Shift Values>> N :: 123.23(3.54) 1.R33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 R 0.36 G 0.15 C Shift Assignments>> C :: 178.775 CA :: 59.628 CB :: 30.145 CG :: 27.084 CD :: 43.927 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.871 HA :: 3.929 HB2 :: 1.290 HB3 :: 1.290 HG2 :: 1.228 HG3 :: 1.721 HD2 :: 2.535 HD3 :: 2.756 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 119.517 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.L34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 L 0.4 R 0.04 C Shift Assignments>> C :: 178.146 CA :: 59.321 CB :: 41.427 CG :: 27.446 CD1 :: 26.063 CD2 :: 24.091 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.557 HA :: 4.062 HB2 :: 2.175 HB3 :: 1.585 HG :: 1.406 HD11 :: 0.836 HD12 :: 0.836 HD13 :: 0.836 HD21 :: 0.947 HD22 :: 0.947 HD23 :: 0.947 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.611 Ave N Shift Values>> N :: 121.86(3.9) 1.Y35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.57 C 0.42 C Shift Assignments>> C :: 178.525 CA :: 60.865 CB :: 36.920 CD1 :: 132.475 CD2 :: 132.475 CE1 :: 118.050 CE2 :: 118.050 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.209 HA :: 4.342 HB2 :: 3.266 HB3 :: 2.986 HD1 :: 7.163 HD2 :: 7.163 HE1 :: 6.810 HE2 :: 6.810 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 117.435 Ave N Shift Values>> N :: 120.52(4.2) 1.S36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 178.016 CA :: 61.684 CB :: 62.951 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.143 HA :: 4.365 HB2 :: 4.054 HB3 :: 4.078 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.825 Ave N Shift Values>> N :: 116.28(3.52) 1.C37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.44 P 0.41 C 0.11 V 0.02 C Shift Assignments>> C :: 176.888 CA :: 64.548 CB :: 28.133 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.445 HA :: 4.211 HB2 :: 3.409 HB3 :: 2.540 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 120.479 Ave N Shift Values>> N :: 120.17(4.64) 1.L38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.49 C 0.46 R 0.03 C Shift Assignments>> C :: 178.360 CA :: 58.881 CB :: 42.028 CG :: 27.270 CD1 :: 24.927 CD2 :: 25.008 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.835 HA :: 3.856 HB2 :: 1.582 HB3 :: 1.847 HG :: 1.616 HD11 :: 0.822 HD12 :: 0.822 HD13 :: 0.822 HD21 :: 0.791 HD22 :: 0.791 HD23 :: 0.791 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.367 Ave N Shift Values>> N :: 121.86(3.9) 1.D39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.28 Y 0.25 C 0.12 L 0.1 D 0.08 I 0.07 K 0.04 N 0.01 C Shift Assignments>> C :: 179.183 CA :: 57.767 CB :: 40.374 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.069 HA :: 4.377 HB2 :: 2.716 HB3 :: 2.819 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 118.661 Ave N Shift Values>> N :: 120.65(3.86) 1.H40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 H 0.45 HN Overlap>> 1.E74 1.E74 C Shift Assignments>> C :: 178.052 CA :: 58.920 CB :: 30.488 CD2 :: 120.109 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 7.716 HA :: 4.495 HB2 :: 3.300 HB3 :: 3.300 HD2 :: 6.910 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 118.600 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.M41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.81 M 0.18 HN Overlap>> 1.L69 1.L69 C Shift Assignments>> C :: 178.230 CA :: 60.571 CB :: 34.053 CG :: 33.724 CE :: 17.750 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.554 HA :: 3.858 HB2 :: 2.059 HB3 :: 2.221 HG2 :: 2.212 HG3 :: 2.212 HE1 :: 1.863 HE2 :: 1.863 HE3 :: 1.863 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 116.696 Ave N Shift Values>> N :: 120.09(3.57) 1.R42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 R 0.39 K 0.07 G 0.05 C Shift Assignments>> C :: 179.413 CA :: 59.298 CB :: 29.859 CG :: 28.133 CD :: 43.144 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.741 HA :: 4.068 HB2 :: 1.826 HB3 :: 1.965 HG2 :: 1.646 HG3 :: 1.839 HD2 :: 3.117 HD3 :: 3.273 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 118.295 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.E43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.33 I 0.18 K 0.06 Q 0.03 M 0.01 C Shift Assignments>> C :: 177.664 CA :: 59.441 CB :: 29.301 CG :: 36.327 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.691 HA :: 3.990 HB2 :: 2.178 HB3 :: 2.232 HG2 :: 2.236 HG3 :: 2.437 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.869 Ave N Shift Values>> N :: 120.67(3.48) 1.V44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.83 C 0.16 C Shift Assignments>> C :: 177.266 CA :: 64.398 CB :: 32.844 CG1 :: 21.472 CG2 :: 21.594 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.097 HA :: 3.846 HB :: 1.933 HG11 :: 0.791 HG12 :: 0.791 HG13 :: 0.791 HG21 :: 0.797 HG22 :: 0.797 HG23 :: 0.797 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 115.743 Ave N Shift Values>> N :: 121.14(4.54) 1.L45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.33 C 0.27 R 0.22 G 0.12 A 0.03 C Shift Assignments>> C :: 174.795 CA :: 55.368 CB :: 43.675 CG :: 27.146 CD1 :: 27.274 CD2 :: 22.748 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.360 HA :: 4.243 HB2 :: 1.512 HB3 :: 1.801 HG :: 1.639 HD11 :: 0.791 HD12 :: 0.791 HD13 :: 0.791 HD21 :: 0.780 HD22 :: 0.780 HD23 :: 0.780 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 115.972 Ave N Shift Values>> N :: 121.86(3.9) 1.G46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.84 L 0.09 C 0.02 R 0.01 C Shift Assignments>> C :: 171.755 CA :: 45.336 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.311 HA2 :: 4.052 HA3 :: 3.887 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.387 Ave N Shift Values>> N :: 109.67(3.87) 1.D47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 L 0.2 N 0.15 F 0.09 Y 0.07 K 0.06 C 0.05 HN Overlap>> 2.I37 2.I37 1.K60 1.K60 C Shift Assignments>> C :: 176.937 CA :: 53.941 CB :: 40.894 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.318 HA :: 4.635 HB2 :: 2.661 HB3 :: 2.726 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 121.510 Ave N Shift Values>> N :: 120.65(3.86) 1.A48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.66 M 0.16 C 0.07 L 0.05 V 0.02 C Shift Assignments>> C :: 177.928 CA :: 54.833 CB :: 19.990 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.713 HA :: 4.110 HB1 :: 1.496 HB2 :: 1.496 HB3 :: 1.496 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.058 Ave N Shift Values>> N :: 123.23(3.54) 1.V49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 V 0.44 C Shift Assignments>> C :: 173.914 CA :: 59.106 CB :: 33.929 CG1 :: 21.205 CG2 :: 21.184 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.085 HA :: 4.538 HB :: 1.901 HG11 :: 1.020 HG12 :: 1.020 HG13 :: 1.020 HG21 :: 0.873 HG22 :: 0.873 HG23 :: 0.873 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.072 Ave N Shift Values>> N :: 121.14(4.54) 1.P50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.53 C 0.45 C Shift Assignments>> C :: 177.122 CA :: 63.224 CB :: 33.335 CG :: 27.721 CD :: 51.810 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.486 HB2 :: 2.482 HB3 :: 2.165 HG2 :: 2.076 HG3 :: 2.104 HD2 :: 3.674 HD3 :: 3.982 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.D51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.27 Y 0.23 L 0.12 C 0.11 D 0.09 K 0.09 I 0.06 N 0.01 C Shift Assignments>> C :: 178.754 CA :: 57.720 CB :: 40.680 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.862 HA :: 4.244 HB2 :: 2.597 HB3 :: 2.684 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 121.152 Ave N Shift Values>> N :: 120.65(3.86) 1.D52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.29 F 0.27 C 0.16 I 0.08 D 0.06 L 0.04 N 0.03 E 0.01 C Shift Assignments>> C :: 178.382 CA :: 57.408 CB :: 39.022 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 9.078 HA :: 4.314 HB2 :: 2.602 HB3 :: 2.738 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.466 Ave N Shift Values>> N :: 120.65(3.86) 1.I53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.75 C 0.24 C Shift Assignments>> C :: 179.063 CA :: 63.254 CB :: 37.327 CG1 :: 28.103 CG2 :: 17.162 CD1 :: 11.395 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.212 HA :: 3.833 HB :: 1.942 HG12 :: 1.307 HG13 :: 1.590 HG21 :: 0.860 HG22 :: 0.860 HG23 :: 0.860 HD11 :: 0.849 HD12 :: 0.849 HD13 :: 0.849 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 122.316 Ave N Shift Values>> N :: 121.46(4.28) 1.L54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 C 0.4 R 0.01 C Shift Assignments>> C :: 178.292 CA :: 58.341 CB :: 41.849 CG :: 26.069 CD1 :: 25.452 CD2 :: 23.465 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.511 HA :: 3.783 HB2 :: 1.958 HB3 :: 1.403 HG :: 1.782 HD11 :: 0.903 HD12 :: 0.903 HD13 :: 0.903 HD21 :: 0.760 HD22 :: 0.760 HD23 :: 0.760 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.581 Ave N Shift Values>> N :: 121.86(3.9) 1.T55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 C 0.01 C Shift Assignments>> C :: 175.222 CA :: 67.539 CB :: 68.876 CG2 :: 21.408 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.657 HA :: 3.607 HB :: 4.227 HG21 :: 1.172 HG22 :: 1.172 HG23 :: 1.172 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 113.976 Ave N Shift Values>> N :: 115.42(4.75) 1.E56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.31 I 0.19 K 0.07 Q 0.03 M 0.01 C Shift Assignments>> C :: 178.304 CA :: 59.727 CB :: 29.219 CG :: 36.109 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.484 HA :: 3.869 HB2 :: 2.066 HB3 :: 2.066 HG2 :: 2.232 HG3 :: 2.344 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.673 Ave N Shift Values>> N :: 120.67(3.48) 1.A57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.53 A 0.38 I 0.04 C 0.03 C Shift Assignments>> C :: 179.339 CA :: 55.352 CB :: 18.322 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.421 HA :: 4.144 HB1 :: 1.463 HB2 :: 1.463 HB3 :: 1.463 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.309 Ave N Shift Values>> N :: 123.23(3.54) 1.I58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.79 I 0.19 HN Overlap>> 1.S18 1.S18 C Shift Assignments>> C :: 177.226 CA :: 65.100 CB :: 38.021 CG1 :: 31.086 CG2 :: 20.781 CD1 :: 14.923 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.290 HA :: 3.224 HB :: 1.707 HG12 :: 0.683 HG13 :: 1.766 HG21 :: 0.784 HG22 :: 0.784 HG23 :: 0.784 HD11 :: 0.781 HD12 :: 0.781 HD13 :: 0.781 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 118.021 Ave N Shift Values>> N :: 121.46(4.28) 1.L59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.39 HN Overlap>> 1.H24 1.H24 C Shift Assignments>> C :: 181.317 CA :: 57.363 CB :: 40.955 CG :: 26.600 CD1 :: 25.589 CD2 :: 23.254 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.983 HA :: 3.481 HB2 :: 1.179 HB3 :: 1.674 HG :: 1.706 HD11 :: 0.676 HD12 :: 0.676 HD13 :: 0.676 HD21 :: 0.638 HD22 :: 0.638 HD23 :: 0.638 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 117.973 Ave N Shift Values>> N :: 121.86(3.9) 1.K60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 K 0.44 R 0.08 HN Overlap>> 2.I37 1.D47 2.I37 1.D47 C Shift Assignments>> C :: 177.541 CA :: 59.055 CB :: 32.273 CG :: 24.818 CD :: 29.119 CE :: 41.948 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.319 HA :: 3.790 HB2 :: 1.795 HB3 :: 1.462 HG2 :: 0.817 HG3 :: 1.090 HD2 :: 1.497 HD3 :: 1.525 HE2 :: 2.830 HE3 :: 2.830 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.558 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.H61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.19 K 0.18 H 0.15 C 0.13 E 0.13 R 0.1 L 0.04 M 0.03 I 0.02 C Shift Assignments>> C :: 174.675 CA :: 56.245 CB :: 28.657 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 7.162 HA :: 4.630 HB2 :: 3.426 HB3 :: 2.669 HD2 :: 6.990 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 113.146 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.K62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 K 0.28 R 0.21 L 0.01 G 0.01 C Shift Assignments>> C :: 175.861 CA :: 57.079 CB :: 29.083 CG :: 25.008 CD :: 29.202 CE :: 42.195 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.602 HA :: 4.273 HB2 :: 1.697 HB3 :: 1.697 HG2 :: 1.328 HG3 :: 1.328 HD2 :: 1.698 HD3 :: 1.698 HE2 :: 2.975 HE3 :: 2.975 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 117.843 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F63 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> C 0.64 F 0.2 Y 0.14 C Shift Assignments>> C :: 173.160 CA :: 60.085 CB :: 34.991 CD1 :: 131.253 CD2 :: 131.253 CE1 :: 131.048 CE2 :: 131.048 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.223 HA :: 3.706 HB2 :: 3.268 HB3 :: 3.414 HD1 :: 6.953 HD2 :: 6.953 HE1 :: 7.080 HE2 :: 7.080 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 106.402(S) Ave N Shift Values>> N :: 120.45(4.18) 1.D64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.36 N 0.23 L 0.17 F 0.06 C 0.05 Y 0.05 K 0.04 C Shift Assignments>> C :: 175.940 CA :: 53.049 CB :: 40.773 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.454 HA :: 4.801 HB2 :: 3.212 HB3 :: 2.609 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 118.915 Ave N Shift Values>> N :: 120.65(3.86) 1.V65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.87 C 0.12 C Shift Assignments>> C :: 176.515 CA :: 66.044 CB :: 32.208 CG1 :: 23.363 CG2 :: 21.198 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.312 HA :: 3.592 HB :: 2.130 HG11 :: 1.111 HG12 :: 1.111 HG13 :: 1.111 HG21 :: 0.877 HG22 :: 0.877 HG23 :: 0.877 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 125.809 Ave N Shift Values>> N :: 121.14(4.54) 1.Q66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 Q 0.2 K 0.17 E 0.08 I 0.06 R 0.05 C Shift Assignments>> C :: 179.114 CA :: 59.457 CB :: 27.894 CG :: 34.313 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.079 HA :: 3.983 HB2 :: 2.178 HB3 :: 2.178 HG2 :: 2.369 HG3 :: 2.434 HE21 :: 6.890 HE22 :: 7.551 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.729 NE2 :: 112.231 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 K 0.42 R 0.14 C Shift Assignments>> C :: 178.648 CA :: 58.349 CB :: 32.095 CG :: 25.410 CD :: 28.877 CE :: 42.030 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.848 HA :: 3.879 HB2 :: 1.461 HB3 :: 1.664 HG2 :: 1.265 HG3 :: 1.065 HD2 :: 1.610 HD3 :: 1.610 HE2 :: 2.782 HE3 :: 2.782 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.102 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.54 A 0.36 I 0.04 C 0.03 C Shift Assignments>> C :: 178.759 CA :: 55.430 CB :: 18.297 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.422 HA :: 3.680 HB1 :: 1.256 HB2 :: 1.256 HB3 :: 1.256 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.696 Ave N Shift Values>> N :: 123.23(3.54) 1.L69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 L 0.4 R 0.15 G 0.01 HN Overlap>> 1.M41 1.M41 C Shift Assignments>> C :: 177.963 CA :: 57.995 CB :: 42.205 CG :: 27.639 CD1 :: 26.064 CD2 :: 25.172 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.555 HA :: 3.785 HB2 :: 1.452 HB3 :: 1.938 HG :: 1.732 HD11 :: 0.838 HD12 :: 0.838 HD13 :: 0.838 HD21 :: 0.833 HD22 :: 0.833 HD23 :: 0.833 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 116.754 Ave N Shift Values>> N :: 121.86(3.9) 1.S70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.185 CA :: 62.095 CB :: 62.973 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.516 HA :: 4.023 HB2 :: 3.932 HB3 :: 3.932 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 112.910 Ave N Shift Values>> N :: 116.28(3.52) 1.V71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.87 C 0.12 C Shift Assignments>> C :: 178.616 CA :: 65.192 CB :: 31.688 CG1 :: 21.916 CG2 :: 21.050 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.553 HA :: 3.897 HB :: 2.164 HG11 :: 0.948 HG12 :: 0.948 HG13 :: 0.948 HG21 :: 0.938 HG22 :: 0.938 HG23 :: 0.938 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.213 Ave N Shift Values>> N :: 121.14(4.54) 1.V72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.86 C 0.13 C Shift Assignments>> C :: 177.848 CA :: 65.116 CB :: 31.719 CG1 :: 22.047 CG2 :: 22.047 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.663 HA :: 3.862 HB :: 2.111 HG11 :: 0.892 HG12 :: 0.892 HG13 :: 0.892 HG21 :: 0.875 HG22 :: 0.875 HG23 :: 0.875 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.320 Ave N Shift Values>> N :: 121.14(4.54) 1.L73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 C 0.32 R 0.07 A 0.02 C Shift Assignments>> C :: 177.879 CA :: 56.225 CB :: 42.028 CG :: 27.146 CD1 :: 25.684 CD2 :: 22.746 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.970 HA :: 4.167 HB2 :: 1.358 HB3 :: 1.696 HG :: 1.670 HD11 :: 0.722 HD12 :: 0.722 HD13 :: 0.722 HD21 :: 0.766 HD22 :: 0.766 HD23 :: 0.766 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.066 Ave N Shift Values>> N :: 121.86(3.9) 1.E74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.34 K 0.08 Q 0.05 I 0.05 M 0.04 HN Overlap>> 1.H40 1.H40 C Shift Assignments>> C :: 176.964 CA :: 56.997 CB :: 29.679 CG :: 36.356 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.683 HA :: 4.205 HB2 :: 2.080 HB3 :: 2.080 HG2 :: 2.283 HG3 :: 2.348 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.589 Ave N Shift Values>> N :: 120.67(3.48) 1.Q75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.3 K 0.28 C 0.24 E 0.07 M 0.05 R 0.03 C Shift Assignments>> C :: 176.036 CA :: 56.242 CB :: 29.176 CG :: 33.842 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.958 HA :: 4.308 HB2 :: 2.060 HB3 :: 2.158 HG2 :: 2.417 HG3 :: 2.417 HE21 :: 7.513 HE22 :: 6.777 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.370 NE2 :: 111.744 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.D76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.23 K 0.13 F 0.1 N 0.07 Y 0.07 C 0.05 R 0.02 C Shift Assignments>> C :: 176.870 CA :: 54.637 CB :: 41.290 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.294 HA :: 4.602 HB2 :: 2.714 HB3 :: 2.714 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 121.309 Ave N Shift Values>> N :: 120.65(3.86) 1.G77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> C :: 174.572 CA :: 45.505 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.361 HA2 :: 4.007 HA3 :: 4.007 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.762 Ave N Shift Values>> N :: 109.67(3.87) 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 :: 174.687 CA :: 58.514 CB :: 63.864 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.258 HA :: 4.461 HB2 :: 3.882 HB3 :: 3.882 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.759 Ave N Shift Values>> N :: 116.28(3.52) 1.G79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.63 L 0.19 R 0.07 C 0.04 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> CA :: 44.723 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.293 HA2 :: 4.160 HA3 :: 4.089 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.510 Ave N Shift Values>> N :: 109.67(3.87) 1.P80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.74 C 0.25 C Shift Assignments>> C :: 177.363 CA :: 63.245 CB :: 32.183 CG :: 27.189 CD :: 49.831 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.487 HB2 :: 1.971 HB3 :: 1.971 HG2 :: 2.016 HG3 :: 2.016 HD2 :: 3.634 HD3 :: 3.634 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.S81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 2.V24 2.V24 C Shift Assignments>> C :: 177.400 CA :: 58.341 CB :: 63.863 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.529 HA :: 4.474 HB2 :: 3.851 HB3 :: 3.851 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.494 Ave N Shift Values>> N :: 116.28(3.52) 1.S82 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G83 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.S2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.S3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.G4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.S5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 174.793 CA :: 58.148 CB :: 63.986 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 4.518 HB2 :: 3.844 HB3 :: 3.844 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) 2.S6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.782 CA :: 58.559 CB :: 63.986 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.642 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 118.439 Ave N Shift Values>> N :: 116.28(3.52) 2.G7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.85 L 0.08 C 0.02 C Shift Assignments>> C :: 173.144 CA :: 45.427 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> HA2 :: 3.890 HA3 :: 4.052 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 2.M8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.44 C 0.3 A 0.24 C Shift Assignments>> C :: 173.025 CA :: 55.130 CB :: 34.472 CG :: 32.258 CE :: 17.867 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.842 HA :: 4.537 HB2 :: 2.051 HB3 :: 1.824 HG2 :: 2.234 HG3 :: 2.049 HE1 :: 1.615 HE2 :: 1.615 HE3 :: 1.615 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 120.136 Ave N Shift Values>> N :: 120.09(3.57) 2.Q9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.33 Q 0.25 C 0.24 E 0.09 K 0.06 C Shift Assignments>> C :: 175.863 CA :: 54.170 CB :: 31.011 CG :: 34.276 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.203 HA :: 5.382 HB2 :: 1.594 HB3 :: 1.765 HG2 :: 1.978 HG3 :: 2.185 HE21 :: 6.685 HE22 :: 7.732 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 121.716 NE2 :: 112.101 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 2.I10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.63 I 0.33 G 0.02 C Shift Assignments>> C :: 172.338 CA :: 59.370 CB :: 42.062 CG1 :: 24.761 CG2 :: 17.926 CD1 :: 14.216 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.300 HA :: 4.182 HB :: 1.748 HG12 :: 0.838 HG13 :: 1.056 HG21 :: 0.614 HG22 :: 0.614 HG23 :: 0.614 HD11 :: 0.587 HD12 :: 0.587 HD13 :: 0.587 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 114.004 Ave N Shift Values>> N :: 121.46(4.28) 2.F11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.46 Y 0.4 C 0.12 C Shift Assignments>> C :: 174.970 CA :: 55.107 CB :: 41.052 CD1 :: 132.062 CD2 :: 132.062 CE1 :: 131.018 CE2 :: 131.018 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.593 HA :: 5.585 HB2 :: 2.836 HB3 :: 3.024 HD1 :: 7.057 HD2 :: 7.057 HE1 :: 7.229 HE2 :: 7.229 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 118.696 Ave N Shift Values>> N :: 120.45(4.18) 2.V12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.5 C 0.49 C Shift Assignments>> C :: 174.629 CA :: 60.471 CB :: 33.889 CG1 :: 22.562 CG2 :: 20.780 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.327 HA :: 4.769 HB :: 1.895 HG11 :: 0.676 HG12 :: 0.676 HG13 :: 0.676 HG21 :: 0.717 HG22 :: 0.717 HG23 :: 0.717 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.714 Ave N Shift Values>> N :: 121.14(4.54) 2.K13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.51 C 0.35 R 0.12 C Shift Assignments>> C :: 177.031 CA :: 54.731 CB :: 34.837 CG :: 25.086 CD :: 29.423 CE :: 41.948 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 9.040 HA :: 5.305 HB2 :: 1.342 HB3 :: 1.675 HG2 :: 1.256 HG3 :: 1.494 HD2 :: 1.575 HD3 :: 1.575 HE2 :: 2.886 HE3 :: 2.886 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 128.411 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.T14 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 :: 176.836 CA :: 60.383 CB :: 70.318 CG2 :: 21.389 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.759 HA :: 5.037 HB :: 4.781 HG21 :: 1.176 HG22 :: 1.176 HG23 :: 1.176 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 115.561 Ave N Shift Values>> N :: 115.42(4.75) 2.L15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 C 0.39 R 0.05 C Shift Assignments>> C :: 178.488 CA :: 57.146 CB :: 41.584 CG :: 27.377 CD1 :: 25.653 CD2 :: 23.460 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.246 HA :: 4.351 HB2 :: 1.747 HB3 :: 1.904 HG :: 1.907 HD11 :: 1.004 HD12 :: 1.004 HD13 :: 1.004 HD21 :: 0.952 HD22 :: 0.952 HD23 :: 0.952 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.234 Ave N Shift Values>> N :: 121.86(3.9) 2.T16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.87 C 0.12 C Shift Assignments>> C :: 175.377 CA :: 61.418 CB :: 69.066 CG2 :: 21.906 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.678 HA :: 4.422 HB :: 4.585 HG21 :: 1.242 HG22 :: 1.242 HG23 :: 1.242 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 106.028 Ave N Shift Values>> N :: 115.42(4.75) 2.G17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> C :: 173.899 CA :: 45.478 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.821 HA2 :: 3.621 HA3 :: 4.309 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.336 Ave N Shift Values>> N :: 109.67(3.87) 2.K18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.48 C 0.4 R 0.11 C Shift Assignments>> C :: 175.656 CA :: 56.318 CB :: 33.549 CG :: 25.150 CD :: 29.366 CE :: 41.881 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.333 HA :: 4.366 HB2 :: 1.688 HB3 :: 1.791 HG2 :: 1.215 HG3 :: 1.380 HD2 :: 1.606 HD3 :: 1.606 HE2 :: 2.874 HE3 :: 2.874 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 122.150 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.T19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 C Shift Assignments>> C :: 174.094 CA :: 62.321 CB :: 69.898 CG2 :: 21.917 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.637 HA :: 5.044 HB :: 3.914 HG21 :: 1.047 HG22 :: 1.047 HG23 :: 1.047 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 120.838 Ave N Shift Values>> N :: 115.42(4.75) 2.I20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.58 C 0.4 C Shift Assignments>> C :: 175.106 CA :: 60.117 CB :: 40.903 CG1 :: 26.999 CG2 :: 17.771 CD1 :: 14.529 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.620 HA :: 4.446 HB :: 1.847 HG12 :: 1.070 HG13 :: 1.441 HG21 :: 0.858 HG22 :: 0.858 HG23 :: 0.858 HD11 :: 0.701 HD12 :: 0.701 HD13 :: 0.701 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 128.637 Ave N Shift Values>> N :: 121.46(4.28) 2.T21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.91 C 0.08 C Shift Assignments>> C :: 173.650 CA :: 62.311 CB :: 69.575 CG2 :: 21.759 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.780 HA :: 4.925 HB :: 4.013 HG21 :: 1.087 HG22 :: 1.087 HG23 :: 1.087 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 122.618 Ave N Shift Values>> N :: 115.42(4.75) 2.L22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.57 C 0.26 L 0.13 A 0.02 C Shift Assignments>> C :: 174.870 CA :: 52.556 CB :: 46.621 CG :: 27.310 CD1 :: 27.132 CD2 :: 24.185 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.798 HA :: 4.770 HB2 :: 1.200 HB3 :: 1.354 HG :: 1.451 HD11 :: 0.703 HD12 :: 0.703 HD13 :: 0.703 HD21 :: 0.744 HD22 :: 0.744 HD23 :: 0.744 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 125.483 Ave N Shift Values>> N :: 121.86(3.9) 2.E23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.43 C 0.32 K 0.08 M 0.07 Q 0.05 I 0.02 C Shift Assignments>> C :: 175.822 CA :: 55.591 CB :: 29.831 CG :: 36.392 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.171 HA :: 4.758 HB2 :: 1.889 HB3 :: 1.963 HG2 :: 2.167 HG3 :: 2.167 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.217 Ave N Shift Values>> N :: 120.67(3.48) 2.V24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.88 V 0.08 A 0.02 HN Overlap>> 1.S81 1.S81 C Shift Assignments>> C :: 173.684 CA :: 58.559 CB :: 36.356 CG1 :: 22.167 CG2 :: 19.001 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.597 HA :: 4.698 HB :: 2.347 HG11 :: 0.677 HG12 :: 0.677 HG13 :: 0.677 HG21 :: 0.429 HG22 :: 0.429 HG23 :: 0.429 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 116.541 Ave N Shift Values>> N :: 121.14(4.54) 2.E25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 M 0.32 E 0.24 Q 0.07 K 0.01 C Shift Assignments>> C :: 175.902 CA :: 53.299 CB :: 31.249 CG :: 35.818 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.490 HA :: 4.921 HB2 :: 1.632 HB3 :: 2.098 HG2 :: 2.174 HG3 :: 2.278 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.019 Ave N Shift Values>> N :: 120.67(3.48) 2.P26 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 :: 175.303 CA :: 65.446 CB :: 31.862 CG :: 27.752 CD :: 50.552 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.104 HB2 :: 2.405 HB3 :: 1.981 HG2 :: 2.484 HG3 :: 1.974 HD2 :: 3.801 HD3 :: 3.933 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 2.S27 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> S 0.99 C Shift Assignments>> C :: 174.572 CA :: 57.429 CB :: 63.467 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.085 HA :: 4.358 HB2 :: 3.779 HB3 :: 4.136 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 103.694(S) Ave N Shift Values>> N :: 116.28(3.52) 2.D28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.21 L 0.19 F 0.17 Y 0.14 K 0.12 C 0.07 N 0.04 I 0.01 R 0.01 C Shift Assignments>> C :: 176.312 CA :: 56.059 CB :: 40.937 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.052 HA :: 4.662 HB2 :: 2.929 HB3 :: 2.481 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 123.988 Ave N Shift Values>> N :: 120.65(3.86) 2.T29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.7 C 0.28 C Shift Assignments>> C :: 176.584 CA :: 59.580 CB :: 71.141 CG2 :: 22.256 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.849 HA :: 4.904 HB :: 4.772 HG21 :: 1.245 HG22 :: 1.245 HG23 :: 1.245 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 109.198 Ave N Shift Values>> N :: 115.42(4.75) 2.I30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.88 I 0.1 C Shift Assignments>> C :: 178.843 CA :: 62.318 CB :: 34.465 CG1 :: 27.732 CG2 :: 18.069 CD1 :: 9.243 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.545 HA :: 3.640 HB :: 2.541 HG12 :: 1.289 HG13 :: 1.907 HG21 :: 0.775 HG22 :: 0.775 HG23 :: 0.775 HD11 :: 0.552 HD12 :: 0.552 HD13 :: 0.552 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 121.617 Ave N Shift Values>> N :: 121.46(4.28) 2.E31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.37 I 0.26 E 0.26 K 0.06 Q 0.03 C Shift Assignments>> C :: 178.831 CA :: 60.286 CB :: 28.955 CG :: 36.109 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.911 HA :: 3.834 HB2 :: 2.016 HB3 :: 2.016 HG2 :: 2.279 HG3 :: 2.279 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) 2.N32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.22 F 0.18 C 0.17 N 0.17 D 0.09 E 0.05 L 0.03 I 0.03 M 0.02 C Shift Assignments>> C :: 178.278 CA :: 55.845 CB :: 38.330 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.947 HA :: 4.533 HB2 :: 3.224 HB3 :: 2.823 HD21 :: 6.904 HD22 :: 7.886 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 121.250 ND2 :: 109.875 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 2.V33 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 :: 177.732 CA :: 67.705 CB :: 30.806 CG1 :: 23.610 CG2 :: 21.554 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.151 HA :: 3.379 HB :: 2.330 HG11 :: 0.964 HG12 :: 0.964 HG13 :: 0.964 HG21 :: 0.685 HG22 :: 0.685 HG23 :: 0.685 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 122.358 Ave N Shift Values>> N :: 121.14(4.54) 2.K34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 R 0.32 K 0.2 G 0.01 C Shift Assignments>> C :: 180.418 CA :: 59.244 CB :: 33.625 CG :: 26.231 CD :: 30.369 CE :: 42.490 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.548 HA :: 4.581 HB2 :: 1.432 HB3 :: 1.991 HG2 :: 1.393 HG3 :: 1.544 HD2 :: 1.633 HD3 :: 1.694 HE2 :: 2.594 HE3 :: 2.622 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.197 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.A35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.63 A 0.28 I 0.05 C 0.02 C Shift Assignments>> C :: 180.173 CA :: 55.464 CB :: 17.713 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.989 HA :: 4.141 HB1 :: 1.617 HB2 :: 1.617 HB3 :: 1.617 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.534 Ave N Shift Values>> N :: 123.23(3.54) 2.K36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 R 0.32 K 0.16 G 0.01 C Shift Assignments>> C :: 175.928 CA :: 59.836 CB :: 33.478 CG :: 26.537 CD :: 30.365 CE :: 42.441 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.927 HA :: 4.186 HB2 :: 2.143 HB3 :: 1.933 HG2 :: 1.595 HG3 :: 1.787 HD2 :: 1.790 HD3 :: 1.427 HE2 :: 2.942 HE3 :: 3.185 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.607 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.I37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.63 C 0.36 HN Overlap>> 1.D47 1.K60 1.D47 1.K60 C Shift Assignments>> C :: 178.093 CA :: 66.171 CB :: 36.813 CG1 :: 31.172 CG2 :: 17.053 CD1 :: 15.156 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.295 HA :: 3.486 HB :: 2.338 HG12 :: 0.677 HG13 :: 2.002 HG21 :: 0.679 HG22 :: 0.679 HG23 :: 0.679 HD11 :: 0.882 HD12 :: 0.882 HD13 :: 0.882 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 121.513 Ave N Shift Values>> N :: 121.46(4.28) 2.Q38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 Q 0.17 K 0.14 R 0.07 I 0.07 E 0.04 P 0.02 C Shift Assignments>> C :: 178.852 CA :: 60.080 CB :: 27.663 CG :: 33.971 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.520 HA :: 3.812 HB2 :: 1.973 HB3 :: 2.484 HG2 :: 1.915 HG3 :: 2.261 HE21 :: 6.820 HE22 :: 7.668 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 123.636 NE2 :: 110.272 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 2.D39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.21 Y 0.17 L 0.16 K 0.16 D 0.12 C 0.09 I 0.03 R 0.01 N 0.01 C Shift Assignments>> C :: 177.308 CA :: 57.210 CB :: 41.075 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.088 HA :: 4.315 HB2 :: 2.737 HB3 :: 2.828 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.077 Ave N Shift Values>> N :: 120.65(3.86) 2.K40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 K 0.42 R 0.13 C Shift Assignments>> C :: 177.795 CA :: 58.355 CB :: 34.025 CG :: 25.328 CD :: 29.003 CE :: 42.203 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.501 HA :: 4.282 HB2 :: 1.999 HB3 :: 1.831 HG2 :: 1.585 HG3 :: 1.585 HD2 :: 1.677 HD3 :: 1.706 HE2 :: 3.110 HE3 :: 3.152 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 115.722 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.E41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 M 0.27 E 0.16 Q 0.01 C Shift Assignments>> C :: 177.858 CA :: 55.374 CB :: 33.297 CG :: 36.340 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.710 HA :: 4.561 HB2 :: 2.255 HB3 :: 1.661 HG2 :: 2.051 HG3 :: 2.156 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 114.227 Ave N Shift Values>> N :: 120.67(3.48) 2.G42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> C :: 173.876 CA :: 45.889 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.500 HA2 :: 3.905 HA3 :: 4.122 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.073 Ave N Shift Values>> N :: 109.67(3.87) 2.I43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.5 C 0.46 A 0.03 C Shift Assignments>> C :: 173.279 CA :: 57.946 CB :: 40.529 CG1 :: 26.981 CG2 :: 17.844 CD1 :: 13.596 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 6.147 HA :: 4.384 HB :: 1.393 HG12 :: 1.069 HG13 :: 1.367 HG21 :: 0.916 HG22 :: 0.916 HG23 :: 0.916 HD11 :: 0.761 HD12 :: 0.761 HD13 :: 0.761 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 120.632 Ave N Shift Values>> N :: 121.46(4.28) 2.P44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.51 P 0.48 C Shift Assignments>> CA :: 61.542 CB :: 31.862 CG :: 28.256 CD :: 51.033 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.613 HB2 :: 1.952 HB3 :: 2.403 HG2 :: 2.028 HG3 :: 2.096 HD2 :: 3.542 HD3 :: 4.192 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 2.P45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.73 C 0.25 C Shift Assignments>> C :: 178.279 CA :: 66.090 CB :: 32.831 CG :: 27.731 CD :: 51.171 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.113 HB2 :: 2.228 HB3 :: 2.013 HG2 :: 1.620 HG3 :: 2.170 HD2 :: 3.736 HD3 :: 3.736 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 2.D46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.2 F 0.2 Y 0.19 L 0.12 N 0.12 C 0.11 I 0.02 C Shift Assignments>> C :: 176.977 CA :: 55.787 CB :: 39.772 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.537 HA :: 4.383 HB2 :: 2.657 HB3 :: 2.760 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 113.752 Ave N Shift Values>> N :: 120.65(3.86) 2.Q47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.28 C 0.23 K 0.17 E 0.15 M 0.14 C Shift Assignments>> C :: 175.227 CA :: 55.496 CB :: 30.093 CG :: 34.465 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.805 HA :: 4.429 HB2 :: 1.825 HB3 :: 2.446 HG2 :: 2.402 HG3 :: 2.402 HE21 :: 6.734 HE22 :: 7.667 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 116.966 NE2 :: 110.977 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 2.Q48 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> M 0.34 C 0.31 Q 0.23 K 0.05 E 0.04 C Shift Assignments>> C :: 176.001 CA :: 56.733 CB :: 31.450 CG :: 33.474 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.500 HA :: 4.163 HB2 :: 1.864 HB3 :: 1.948 HG2 :: 1.635 HG3 :: 2.510 HE21 :: 6.494 HE22 :: 6.078 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 117.944 NE2 :: 104.387(S) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 2.R49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.47 C 0.35 G 0.14 K 0.02 C Shift Assignments>> C :: 174.120 CA :: 55.105 CB :: 31.581 CG :: 26.899 CD :: 43.843 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.390 HA :: 4.501 HB2 :: 1.564 HB3 :: 1.802 HG2 :: 1.466 HG3 :: 1.466 HD2 :: 2.943 HD3 :: 3.084 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 122.433 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 2.L50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.6 L 0.23 C 0.14 A 0.01 C Shift Assignments>> C :: 175.263 CA :: 53.062 CB :: 45.690 CG :: 26.981 CD1 :: 26.546 CD2 :: 24.231 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.762 HA :: 5.375 HB2 :: 1.148 HB3 :: 1.528 HG :: 1.455 HD11 :: 0.750 HD12 :: 0.750 HD13 :: 0.750 HD21 :: 0.788 HD22 :: 0.788 HD23 :: 0.788 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.986 Ave N Shift Values>> N :: 121.86(3.9) 2.I51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 I 0.48 C Shift Assignments>> C :: 175.421 CA :: 58.949 CB :: 41.256 CG1 :: 28.232 CG2 :: 17.809 CD1 :: 13.296 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.177 HA :: 4.966 HB :: 1.729 HG12 :: 1.010 HG13 :: 1.277 HG21 :: 0.676 HG22 :: 0.676 HG23 :: 0.676 HD11 :: 0.625 HD12 :: 0.625 HD13 :: 0.625 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 122.843 Ave N Shift Values>> N :: 121.46(4.28) 2.F52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.32 F 0.31 G 0.23 C 0.13 C Shift Assignments>> C :: 174.523 CA :: 56.817 CB :: 43.859 CD1 :: 132.156 CD2 :: 132.156 CE1 :: 132.199 CE2 :: 132.199 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.802 HA :: 5.167 HB2 :: 2.790 HB3 :: 3.039 HD1 :: 7.374 HD2 :: 7.374 HE1 :: 7.534 HE2 :: 7.534 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 124.935 Ave N Shift Values>> N :: 120.45(4.18) 2.A53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.57 M 0.4 C 0.01 C Shift Assignments>> C :: 177.030 CA :: 52.639 CB :: 16.569 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.920 HA :: 3.625 HB1 :: 0.876 HB2 :: 0.876 HB3 :: 0.876 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 132.896 Ave N Shift Values>> N :: 123.23(3.54) 2.G54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> C :: 172.951 CA :: 45.774 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.315 HA2 :: 4.122 HA3 :: 3.393 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 102.507 Ave N Shift Values>> N :: 109.67(3.87) 2.K55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.55 C 0.35 R 0.06 G 0.01 C Shift Assignments>> C :: 174.765 CA :: 54.403 CB :: 34.606 CG :: 24.443 CD :: 29.153 CE :: 42.274 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.913 HA :: 4.605 HB2 :: 1.866 HB3 :: 1.866 HG2 :: 1.504 HG3 :: 1.504 HD2 :: 1.830 HD3 :: 1.859 HE2 :: 3.159 HE3 :: 3.159 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.818 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.Q56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.25 C 0.24 Q 0.23 K 0.19 M 0.04 I 0.01 R 0.01 C Shift Assignments>> C :: 175.621 CA :: 55.793 CB :: 29.295 CG :: 35.122 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.720 HA :: 4.504 HB2 :: 1.935 HB3 :: 2.013 HG2 :: 2.160 HG3 :: 2.239 HE21 :: 7.708 HE22 :: 6.905 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 122.478 NE2 :: 112.498 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 2.L57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.67 C 0.22 L 0.08 R 0.01 C Shift Assignments>> C :: 176.617 CA :: 54.300 CB :: 41.643 CG :: 25.806 CD1 :: 25.969 CD2 :: 19.434 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.579 HA :: 4.098 HB2 :: 1.025 HB3 :: 1.462 HG :: 1.504 HD11 :: 0.504 HD12 :: 0.504 HD13 :: 0.504 HD21 :: -0.180 HD22 :: -0.180 HD23 :: -0.180 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 125.574 Ave N Shift Values>> N :: 121.86(3.9) 2.E58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 E 0.34 M 0.22 Q 0.01 C Shift Assignments>> C :: 175.747 CA :: 56.056 CB :: 31.693 CG :: 36.612 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.459 HA :: 4.456 HB2 :: 1.865 HB3 :: 2.226 HG2 :: 2.320 HG3 :: 2.412 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 123.287 Ave N Shift Values>> N :: 120.67(3.48) 2.D59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.22 Y 0.18 L 0.16 D 0.14 K 0.12 C 0.09 I 0.03 N 0.02 HN Overlap>> 1.E8 1.E8 C Shift Assignments>> C :: 177.352 CA :: 56.906 CB :: 40.881 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.180 HA :: 4.366 HB2 :: 2.508 HB3 :: 2.599 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.620 Ave N Shift Values>> N :: 120.65(3.86) 2.G60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.82 L 0.1 C 0.02 R 0.01 F 0.01 C Shift Assignments>> C :: 174.716 CA :: 45.248 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> HA2 :: 4.019 HA3 :: 4.019 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 2.R61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.42 C 0.32 K 0.19 G 0.04 C Shift Assignments>> C :: 175.200 CA :: 54.428 CB :: 32.725 CG :: 27.509 CD :: 42.959 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.450 HA :: 4.683 HB2 :: 2.014 HB3 :: 2.186 HG2 :: 1.591 HG3 :: 1.787 HD2 :: 3.040 HD3 :: 3.115 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 119.473 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 2.T62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.52 C 0.47 C Shift Assignments>> C :: 176.344 CA :: 59.718 CB :: 72.483 CG2 :: 22.291 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.829 HA :: 5.226 HB :: 4.519 HG21 :: 1.114 HG22 :: 1.114 HG23 :: 1.114 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 108.807 Ave N Shift Values>> N :: 115.42(4.75) 2.L63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 L 0.37 HN Overlap>> 1.N23 1.N23 C Shift Assignments>> C :: 180.600 CA :: 58.641 CB :: 40.221 CG :: 26.652 CD1 :: 26.762 CD2 :: 23.043 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.186 HA :: 4.038 HB2 :: 1.174 HB3 :: 2.084 HG :: 1.740 HD11 :: 0.761 HD12 :: 0.761 HD13 :: 0.761 HD21 :: 0.608 HD22 :: 0.608 HD23 :: 0.608 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 117.701 Ave N Shift Values>> N :: 121.86(3.9) 2.S64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 178.248 CA :: 61.187 CB :: 62.599 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.381 HA :: 4.241 HB2 :: 3.740 HB3 :: 3.833 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 113.296 Ave N Shift Values>> N :: 116.28(3.52) 2.D65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.27 Y 0.24 C 0.11 L 0.11 D 0.1 I 0.06 K 0.05 N 0.01 C Shift Assignments>> C :: 177.484 CA :: 57.481 CB :: 40.390 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.974 HA :: 4.258 HB2 :: 2.991 HB3 :: 2.267 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 124.726 Ave N Shift Values>> N :: 120.65(3.86) 2.Y66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.67 C 0.32 C Shift Assignments>> C :: 174.597 CA :: 58.450 CB :: 40.030 CD1 :: 133.445 CD2 :: 133.445 CE1 :: 118.567 CE2 :: 118.567 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.244 HA :: 4.646 HB2 :: 3.455 HB3 :: 2.514 HD1 :: 7.235 HD2 :: 7.235 HE1 :: 6.880 HE2 :: 6.880 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 115.778 Ave N Shift Values>> N :: 120.52(4.2) 2.N67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.38 C 0.18 Y 0.11 E 0.09 F 0.08 D 0.05 M 0.05 L 0.01 I 0.01 C Shift Assignments>> C :: 174.191 CA :: 54.240 CB :: 37.425 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.163 HA :: 4.335 HB2 :: 3.296 HB3 :: 2.809 HD21 :: 6.829 HD22 :: 7.563 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 115.963 ND2 :: 111.713 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 2.I68 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.72 C 0.27 C Shift Assignments>> C :: 174.384 CA :: 62.532 CB :: 36.756 CG1 :: 28.297 CG2 :: 17.453 CD1 :: 14.428 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.332 HA :: 3.347 HB :: 1.374 HG12 :: -0.447(S) HG13 :: 1.077 HG21 :: 0.471 HG22 :: 0.471 HG23 :: 0.471 HD11 :: 0.405 HD12 :: 0.405 HD13 :: 0.405 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 119.216 Ave N Shift Values>> N :: 121.46(4.28) 2.Q69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.5 C 0.26 Q 0.19 K 0.02 E 0.01 C Shift Assignments>> C :: 175.654 CA :: 53.579 CB :: 31.690 CG :: 33.387 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.682 HA :: 4.485 HB2 :: 2.230 HB3 :: 1.871 HG2 :: 2.295 HG3 :: 2.356 HE21 :: 7.283 HE22 :: 6.827 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 124.852 NE2 :: 112.521 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 2.K70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 K 0.45 R 0.06 C Shift Assignments>> C :: 175.938 CA :: 58.125 CB :: 32.591 CG :: 24.450 CD :: 29.800 CE :: 42.209 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.475 HA :: 3.944 HB2 :: 1.892 HB3 :: 2.033 HG2 :: 1.500 HG3 :: 1.500 HD2 :: 1.743 HD3 :: 1.743 HE2 :: 3.022 HE3 :: 3.022 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.139 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.E71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 I 0.33 E 0.06 K 0.03 L 0.02 C Shift Assignments>> C :: 175.126 CA :: 58.502 CB :: 26.083 CG :: 37.393 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.286 HA :: 3.330 HB2 :: 2.394 HB3 :: 2.527 HG2 :: 2.204 HG3 :: 2.232 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 115.085 Ave N Shift Values>> N :: 120.67(3.48) 2.S72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.96 T 0.03 C Shift Assignments>> C :: 171.900 CA :: 61.053 CB :: 65.008 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.723 HA :: 4.622 HB2 :: 3.921 HB3 :: 3.655 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.198 Ave N Shift Values>> N :: 116.28(3.52) 2.T73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 C Shift Assignments>> C :: 173.545 CA :: 62.524 CB :: 70.355 CG2 :: 21.512 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.720 HA :: 5.278 HB :: 4.040 HG21 :: 0.883 HG22 :: 0.883 HG23 :: 0.883 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 117.589 Ave N Shift Values>> N :: 115.42(4.75) 2.L74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.47 C 0.31 R 0.13 L 0.07 C Shift Assignments>> C :: 175.008 CA :: 53.896 CB :: 44.600 CG :: 29.695 CD1 :: 25.491 CD2 :: 24.877 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.405 HA :: 5.088 HB2 :: 1.611 HB3 :: 1.611 HG :: 1.762 HD11 :: 0.641 HD12 :: 0.641 HD13 :: 0.641 HD21 :: 0.684 HD22 :: 0.684 HD23 :: 0.684 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 128.061 Ave N Shift Values>> N :: 121.86(3.9) 2.H75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 H 0.36 Y 0.01 C Shift Assignments>> C :: 173.980 CA :: 56.528 CB :: 33.234 CD2 :: 119.017 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 9.181 HA :: 5.183 HB2 :: 2.963 HB3 :: 2.796 HD2 :: 6.918 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 119.531 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 2.L76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.4 G 0.32 C 0.17 R 0.07 A 0.01 C Shift Assignments>> C :: 174.997 CA :: 53.589 CB :: 44.425 CG :: 27.639 CD1 :: 26.087 CD2 :: 23.856 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.365 HA :: 5.187 HB2 :: 1.060 HB3 :: 1.545 HG :: 1.295 HD11 :: 0.706 HD12 :: 0.706 HD13 :: 0.706 HD21 :: 0.823 HD22 :: 0.823 HD23 :: 0.823 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.941 Ave N Shift Values>> N :: 121.86(3.9) 2.V77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.52 C 0.47 C Shift Assignments>> C :: 174.028 CA :: 60.776 CB :: 34.834 CG1 :: 21.419 CG2 :: 21.338 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.110 HA :: 4.285 HB :: 1.900 HG11 :: 0.921 HG12 :: 0.921 HG13 :: 0.921 HG21 :: 0.831 HG22 :: 0.831 HG23 :: 0.831 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 127.483 Ave N Shift Values>> N :: 121.14(4.54) 2.L78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> L 0.67 C 0.22 R 0.06 G 0.02 A 0.01 C Shift Assignments>> C :: 177.943 CA :: 54.056 CB :: 42.437 CG :: 27.557 CD1 :: 25.125 CD2 :: 23.856 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> HA :: 5.024 HB2 :: 1.677 HB3 :: 1.479 HG :: 1.677 HD11 :: 0.950 HD12 :: 0.950 HD13 :: 0.950 HD21 :: 0.830 HD22 :: 0.830 HD23 :: 0.830 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) 2.R79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.47 C 0.35 K 0.09 G 0.06 C Shift Assignments>> C :: 175.305 CA :: 55.756 CB :: 31.294 CG :: 27.500 CD :: 43.384 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.641 HA :: 4.276 HB2 :: 1.762 HB3 :: 1.517 HG2 :: 1.534 HG3 :: 1.467 HD2 :: 3.149 HD3 :: 3.149 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 123.390 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 2.L80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.65 C 0.25 R 0.04 A 0.02 G 0.01 C Shift Assignments>> C :: 177.331 CA :: 54.859 CB :: 42.393 CG :: 26.981 CD1 :: 25.090 CD2 :: 23.482 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.359 HA :: 4.362 HB2 :: 1.532 HB3 :: 1.622 HG :: 1.605 HD11 :: 0.833 HD12 :: 0.833 HD13 :: 0.833 HD21 :: 0.833 HD22 :: 0.833 HD23 :: 0.833 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 124.437 Ave N Shift Values>> N :: 121.86(3.9) 2.R81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.48 C 0.39 G 0.06 K 0.04 C Shift Assignments>> C :: 176.727 CA :: 56.339 CB :: 30.803 CG :: 26.981 CD :: 43.346 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.435 HA :: 4.302 HB2 :: 1.851 HB3 :: 1.851 HG2 :: 1.623 HG3 :: 1.623 HD2 :: 3.162 HD3 :: 3.162 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 122.095 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 2.G82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 L 0.11 C 0.03 R 0.01 F 0.01 C Shift Assignments>> C :: 173.569 CA :: 45.197 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.472 HA2 :: 3.914 HA3 :: 3.914 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.061 Ave N Shift Values>> N :: 109.67(3.87) 2.G83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.06 C 0.03 C Shift Assignments>> C :: 179.099 CA :: 46.057 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.956 HA2 :: 3.779 HA3 :: 3.730 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 115.180 Ave N Shift Values>> N :: 109.67(3.87) ########################################################################### Overall Results: #Consistent: 162 #Clerical: 0 #Suspicious: 4 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 156 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 10 Shift Relative Order (SRO) Results: #Consistent: 166 #Suspicious: 0 C Shift Results: #Consistent: 681 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent:1087 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 N Shift Results: #Consistent: 152 #Duplicate: 0 #Unknown: 0 #Suspicious: 3 #Anomalous: 0 Error Summary: 1.F63 N = 106.402(S), Expected = 120.45, Std = 4.1800, ChiSquare = 7.7727e-04 2.S27 N = 103.694(S), Expected = 116.28, Std = 3.5200, ChiSquare = 3.4947e-04 2.Q48 NE2 = 104.387(S), Expected = 111.87, Std = 1.7200, ChiSquare = 1.3578e-05 2.I68 HG12 = -0.447(S), Expected = 1.28, Std = 0.4000, ChiSquare = 1.5781e-05