Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.D2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.T3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.L4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.6 C 0.29 R 0.06 G 0.01 A 0.01 HN Overlap>> 1.E77 1.E77 C Shift Assignments>> C :: 177.014 CA :: 55.390 CB :: 42.266 CG :: 27.153 CD1 :: 23.674 CD2 :: 24.684 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.236 HA :: 4.274 HB2 :: 1.488 HB3 :: 1.413 HG :: 1.452 HD11 :: 0.810 HD12 :: 0.810 HD13 :: 0.810 HD21 :: 0.828 HD22 :: 0.828 HD23 :: 0.828 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 124.176 Ave N Shift Values>> N :: 121.98(4.07) 1.F5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.26 F 0.26 C 0.19 I 0.09 D 0.06 L 0.05 K 0.02 N 0.01 E 0.01 C Shift Assignments>> C :: 175.235 CA :: 57.813 CB :: 39.584 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.089 HA :: 4.560 HB2 :: 3.142 HB3 :: 2.956 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 120.128 Ave N Shift Values>> N :: 120.69(4.18) 1.D6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.27 L 0.21 K 0.13 C 0.1 N 0.08 F 0.06 R 0.05 Y 0.05 C Shift Assignments>> C :: 175.172 CA :: 53.869 CB :: 41.587 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.140 HA :: 4.543 HB2 :: 2.545 HB3 :: 2.572 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 121.390 Ave N Shift Values>> N :: 120.73(4.2) 1.A7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.85 M 0.12 C 0.01 C Shift Assignments>> CA :: 50.819 CB :: 18.080 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.957 HA :: 4.513 HB1 :: 1.327 HB2 :: 1.327 HB3 :: 1.327 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.903 Ave N Shift Values>> N :: 123.23(3.7) 1.P8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.43 V 0.38 C 0.07 I 0.06 W 0.02 C Shift Assignments>> C :: 177.842 CA :: 63.825 CB :: 31.932 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.391 HB2 :: 2.259 HB3 :: 1.906 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.G9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 L 0.08 C 0.07 R 0.03 C Shift Assignments>> C :: 174.460 CA :: 45.345 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.469 HA2 :: 3.931 HA3 :: 3.931 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.130 Ave N Shift Values>> N :: 109.91(4.29) 1.R10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.37 K 0.1 G 0.07 C Shift Assignments>> C :: 176.513 CA :: 56.317 CB :: 30.737 CG :: 26.990 CD :: 43.336 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.035 HA :: 4.292 HB2 :: 1.857 HB3 :: 1.756 HG2 :: 1.567 HG3 :: 1.567 HD2 :: 3.127 HD3 :: 3.127 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 120.311 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.S11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.279 CA :: 58.699 CB :: 63.690 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.262 HA :: 4.346 HB2 :: 3.794 HB3 :: 3.794 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 116.336 Ave N Shift Values>> N :: 116.3(3.95) 1.Q12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.26 K 0.24 C 0.24 E 0.1 M 0.08 R 0.05 C Shift Assignments>> C :: 175.168 CA :: 55.908 CB :: 29.354 CG :: 33.649 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.218 HA :: 4.187 HB2 :: 1.758 HB3 :: 1.841 HG2 :: 2.040 HG3 :: 2.124 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 121.278 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.F13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.26 F 0.25 C 0.19 I 0.08 D 0.07 L 0.05 N 0.02 K 0.01 E 0.01 HN Overlap>> 1.D70 1.D70 C Shift Assignments>> C :: 175.349 CA :: 57.624 CB :: 39.555 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.953 HA :: 4.638 HB2 :: 3.175 HB3 :: 2.763 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 121.433 Ave N Shift Values>> N :: 120.69(4.18) 1.V14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.5 C 0.49 HN Overlap>> 1.L121 1.L121 C Shift Assignments>> C :: 173.459 CA :: 59.502 CB :: 32.858 CG1 :: 20.337 CG2 :: 21.010 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.691 HA :: 4.409 HB :: 2.055 HG11 :: 0.921 HG12 :: 0.921 HG13 :: 0.921 HG21 :: 0.948 HG22 :: 0.948 HG23 :: 0.948 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120.895 Ave N Shift Values>> N :: 121.02(4.96) 1.P15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.41 P 0.37 C 0.1 I 0.03 W 0.02 C Shift Assignments>> C :: 177.382 CA :: 63.129 CB :: 32.550 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.547 HB2 :: 1.898 HB3 :: 2.507 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.A16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.62 A 0.24 I 0.07 C 0.03 V 0.01 C Shift Assignments>> C :: 178.440 CA :: 55.928 CB :: 18.185 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.227 HA :: 3.331 HB1 :: 1.409 HB2 :: 1.409 HB3 :: 1.409 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.708 Ave N Shift Values>> N :: 123.23(3.7) 1.D17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.19 Y 0.18 D 0.16 C 0.15 L 0.12 K 0.07 N 0.05 I 0.03 C Shift Assignments>> C :: 176.599 CA :: 56.386 CB :: 40.264 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.450 HA :: 4.447 HB2 :: 2.604 HB3 :: 2.766 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 112.545 Ave N Shift Values>> N :: 120.73(4.2) 1.Q18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.25 C 0.24 K 0.23 E 0.14 M 0.07 R 0.04 C Shift Assignments>> C :: 176.326 CA :: 56.392 CB :: 29.400 CG :: 33.990 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.447 HA :: 4.154 HB2 :: 1.754 HB3 :: 1.901 HG2 :: 2.234 HG3 :: 2.309 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 115.386 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.A19 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.5 A 0.45 C 0.01 I 0.01 C Shift Assignments>> C :: 175.480 CA :: 54.002 CB :: 17.158 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.199 HA :: 3.079 HB1 :: -0.326(S) HB2 :: -0.326(S) HB3 :: -0.326(S) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.409 Ave N Shift Values>> N :: 123.23(3.7) 1.F20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.38 D 0.23 C 0.14 Y 0.08 F 0.07 L 0.05 C Shift Assignments>> C :: 173.305 CA :: 53.285 CB :: 39.220 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.857 HA :: 4.929 HB2 :: 2.713 HB3 :: 3.396 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 114.612 Ave N Shift Values>> N :: 120.69(4.18) 1.A21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.78 M 0.18 C 0.02 C Shift Assignments>> C :: 176.407 CA :: 52.243 CB :: 18.968 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.147 HA :: 4.643 HB1 :: 1.362 HB2 :: 1.362 HB3 :: 1.362 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.059 Ave N Shift Values>> N :: 123.23(3.7) 1.F22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.21 L 0.2 R 0.16 C 0.11 F 0.1 D 0.09 Y 0.08 I 0.01 C Shift Assignments>> C :: 174.090 CA :: 56.604 CB :: 42.173 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.705 HA :: 4.964 HB2 :: 2.640 HB3 :: 2.755 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 128.991 Ave N Shift Values>> N :: 120.69(4.18) 1.D23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.62 L 0.16 C 0.1 R 0.06 D 0.03 C Shift Assignments>> C :: 171.316 CA :: 52.537 CB :: 44.688 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.340 HA :: 4.235 HB2 :: 2.116 HB3 :: 2.268 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 128.388 Ave N Shift Values>> N :: 120.73(4.2) 1.F24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.28 R 0.21 D 0.13 K 0.12 C 0.1 F 0.05 Y 0.04 G 0.02 N 0.01 C Shift Assignments>> C :: 173.586 CA :: 55.105 CB :: 42.804 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.593 HA :: 5.293 HB2 :: 2.562 HB3 :: 2.562 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 112.739 Ave N Shift Values>> N :: 120.69(4.18) 1.Q25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.39 C 0.34 Q 0.15 E 0.06 K 0.03 C Shift Assignments>> C :: 173.922 CA :: 55.689 CB :: 32.305 CG :: 33.315 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.059 HA :: 4.334 HB2 :: 1.889 HB3 :: 1.889 HG2 :: 2.172 HG3 :: 2.086 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 116.827 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.Q26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.29 C 0.27 Q 0.2 K 0.15 E 0.03 R 0.03 C Shift Assignments>> C :: 174.265 CA :: 54.342 CB :: 30.712 CG :: 32.784 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 9.378 HA :: 5.006 HB2 :: 1.837 HB3 :: 2.078 HG2 :: 2.375 HG3 :: 2.115 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 128.881 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.N27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.44 D 0.23 C 0.13 Y 0.06 F 0.05 L 0.05 C Shift Assignments>> C :: 174.356 CA :: 52.522 CB :: 39.326 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 9.170 HA :: 4.801 HB2 :: 2.869 HB3 :: 2.631 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 126.141 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.Q28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 Q 0.2 K 0.18 R 0.09 E 0.05 I 0.04 M 0.01 C Shift Assignments>> C :: 174.479 CA :: 58.453 CB :: 26.593 CG :: 34.081 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 9.410 HA :: 3.603 HB2 :: 2.466 HB3 :: 2.086 HG2 :: 2.313 HG3 :: 2.436 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 122.178 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.H29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.14 K 0.13 E 0.13 Q 0.13 H 0.12 C 0.11 R 0.1 I 0.05 M 0.02 L 0.01 C Shift Assignments>> C :: 173.691 CA :: 57.798 CB :: 29.145 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.209 HA :: 4.493 HB2 :: 3.385 HB3 :: 3.385 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 117.893 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.D30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.26 D 0.19 K 0.15 R 0.13 C 0.1 F 0.05 Y 0.04 N 0.03 G 0.01 C Shift Assignments>> C :: 173.831 CA :: 54.394 CB :: 42.294 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.997 HA :: 4.999 HB2 :: 2.662 HB3 :: 2.662 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 118.632 Ave N Shift Values>> N :: 120.73(4.2) 1.L31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.51 C 0.2 L 0.19 R 0.07 C Shift Assignments>> C :: 173.752 CA :: 53.165 CB :: 44.832 CG :: 27.378 CD1 :: 27.715 CD2 :: 24.347 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.726 HA :: 5.080 HB2 :: 1.932 HB3 :: 1.129 HG :: 1.292 HD11 :: 0.660 HD12 :: 0.660 HD13 :: 0.660 HD21 :: 0.742 HD22 :: 0.742 HD23 :: 0.742 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 126.747 Ave N Shift Values>> N :: 121.98(4.07) 1.N32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 L 0.17 N 0.16 C 0.11 K 0.07 F 0.04 Y 0.03 R 0.02 HN Overlap>> 1.I50 1.I50 C Shift Assignments>> C :: 174.294 CA :: 52.467 CB :: 41.323 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.781 HA :: 5.314 HB2 :: 2.534 HB3 :: 2.303 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 124.808 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.L33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.47 C 0.24 R 0.14 G 0.11 A 0.02 C Shift Assignments>> C :: 175.007 CA :: 53.190 CB :: 43.140 CG :: 26.705 CD1 :: 24.010 CD2 :: 27.042 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.346 HA :: 4.561 HB2 :: 1.068 HB3 :: 2.170 HG :: 1.699 HD11 :: 0.839 HD12 :: 0.839 HD13 :: 0.839 HD21 :: 0.939 HD22 :: 0.939 HD23 :: 0.939 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 125.200 Ave N Shift Values>> N :: 121.98(4.07) 1.T34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.83 T 0.16 C Shift Assignments>> C :: 172.040 CA :: 60.367 CB :: 71.968 CG2 :: 24.674 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.325 HA :: 5.469 HB :: 3.700 HG21 :: 0.933 HG22 :: 0.933 HG23 :: 0.933 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 115.837 Ave N Shift Values>> N :: 115.7(5.05) 1.W35 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> C 0.21 Q 0.18 K 0.16 M 0.15 E 0.08 W 0.04 V 0.04 R 0.03 H 0.03 Y 0.01 C Shift Assignments>> C :: 175.739 CA :: 57.512 CB :: 34.024 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 9.368 HA :: 5.395 HB2 :: 2.456 HB3 :: 2.951 HE1 :: 5.661(A) Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 122.333 NE1 :: 121.647 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.Q36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.26 K 0.26 C 0.23 M 0.09 R 0.07 E 0.06 C Shift Assignments>> C :: 175.440 CA :: 55.157 CB :: 29.209 CG :: 33.251 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.830 HA :: 4.640 HB2 :: 1.946 HB3 :: 2.112 HG2 :: 2.272 HG3 :: 2.272 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 122.652 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.I37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.67 C 0.32 C Shift Assignments>> C :: 175.064 CA :: 61.046 CB :: 38.598 CG1 :: 27.979 CG2 :: 18.839 CD1 :: 14.028 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.485 HA :: 4.661 HB :: 1.807 HG12 :: 0.684 HG13 :: 1.520 HG21 :: 1.103 HG22 :: 1.103 HG23 :: 1.103 HD11 :: 0.544 HD12 :: 0.544 HD13 :: 0.544 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 130.017 Ave N Shift Values>> N :: 121.6(4.72) 1.K38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 K 0.4 R 0.14 M 0.02 C Shift Assignments>> C :: 175.420 CA :: 57.452 CB :: 33.566 CG :: 24.674 CD :: 29.389 CE :: 41.830 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.662 HA :: 4.059 HB2 :: 1.472 HB3 :: 1.639 HG2 :: 1.622 HG3 :: 1.764 HD2 :: 1.368 HD3 :: 1.368 HE2 :: 3.027 HE3 :: 3.046 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 131.135 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.D39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.19 L 0.17 F 0.15 D 0.12 C 0.12 Y 0.12 R 0.05 I 0.01 N 0.01 C Shift Assignments>> C :: 177.466 CA :: 56.646 CB :: 41.298 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.450 HA :: 4.635 HB2 :: 2.783 HB3 :: 2.728 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 124.591 Ave N Shift Values>> N :: 120.73(4.2) 1.G40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.66 L 0.13 C 0.09 R 0.07 F 0.01 C Shift Assignments>> C :: 173.908 CA :: 44.952 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.183 HA2 :: 4.225 HA3 :: 3.875 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.948 Ave N Shift Values>> N :: 109.91(4.29) 1.Y41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.2 Y 0.19 C 0.15 D 0.13 L 0.12 K 0.09 I 0.03 N 0.03 R 0.01 C Shift Assignments>> C :: 173.851 CA :: 56.804 CB :: 40.409 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.234 HA :: 5.214 HB2 :: 3.002 HB3 :: 2.848 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 120.577 Ave N Shift Values>> N :: 120.79(4.69) 1.Y42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.21 L 0.19 D 0.13 F 0.11 C 0.11 Y 0.09 R 0.09 N 0.01 I 0.01 C Shift Assignments>> C :: 173.424 CA :: 56.243 CB :: 41.661 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.657 HA :: 5.382 HB2 :: 2.619 HB3 :: 2.741 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 113.026 Ave N Shift Values>> N :: 120.79(4.69) 1.L43 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.43 C 0.26 L 0.23 A 0.06 C Shift Assignments>> C :: 177.781 CA :: 52.636 CB :: 46.745 CG :: 26.347 CD1 :: 24.497 CD2 :: 23.421 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.483 HA :: 4.623 HB2 :: 1.196 HB3 :: 1.391 HG :: 1.212 HD11 :: -0.209(S) HD12 :: -0.209(S) HD13 :: -0.209(S) HD21 :: -0.157 HD22 :: -0.157 HD23 :: -0.157 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 116.234 Ave N Shift Values>> N :: 121.98(4.07) 1.Y44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.27 Y 0.25 C 0.18 I 0.1 L 0.06 D 0.05 K 0.03 N 0.01 C Shift Assignments>> C :: 176.864 CA :: 58.081 CB :: 39.895 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 7.666 HA :: 4.675 HB2 :: 2.540 HB3 :: 3.082 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 116.762 Ave N Shift Values>> N :: 120.79(4.69) 1.R45 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.4 R 0.35 G 0.17 K 0.03 I 0.02 C Shift Assignments>> C :: 177.621 CA :: 60.182 CB :: 30.625 CD :: 43.763 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.243 HA :: 3.917 HB2 :: 1.342 HB3 :: 0.657(S) HD2 :: 2.804 HD3 :: 2.658 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 127.112 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.K46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.38 C 0.36 R 0.22 M 0.02 C Shift Assignments>> C :: 176.300 CA :: 57.824 CB :: 31.983 CG :: 25.174 CD :: 28.878 CE :: 41.857 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 9.110 HA :: 4.116 HB2 :: 1.776 HB3 :: 1.773 HG2 :: 1.359 HG3 :: 1.369 HD2 :: 1.579 HD3 :: 1.579 HE2 :: 2.790 HE3 :: 2.796 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 113.180 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Q47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.18 Q 0.14 C 0.14 K 0.11 R 0.11 W 0.11 E 0.08 M 0.06 L 0.01 C Shift Assignments>> C :: 174.943 CA :: 54.087 CB :: 29.549 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 6.605 HA :: 4.525 HB2 :: 1.956 HB3 :: 2.507 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 112.785 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.I48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.72 C 0.27 C Shift Assignments>> C :: 176.040 CA :: 61.841 CB :: 37.687 CG1 :: 28.010 CG2 :: 16.705 CD1 :: 13.680 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 6.865 HA :: 4.852 HB :: 1.815 HG12 :: 0.794 HG13 :: 1.798 HG21 :: 0.781 HG22 :: 0.781 HG23 :: 0.781 HD11 :: 0.461 HD12 :: 0.461 HD13 :: 0.461 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 119.118 Ave N Shift Values>> N :: 121.6(4.72) 1.R49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 R 0.28 K 0.15 G 0.09 C Shift Assignments>> C :: 174.557 CA :: 55.201 CB :: 33.610 CG :: 26.847 CD :: 43.347 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.868 HA :: 4.677 HB2 :: 1.634 HB3 :: 1.734 HG2 :: 1.499 HG3 :: 1.525 HD2 :: 3.120 HD3 :: 3.187 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 129.557 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.I50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.62 C 0.37 HN Overlap>> 1.N32 1.N32 C Shift Assignments>> C :: 175.317 CA :: 60.493 CB :: 40.676 CG1 :: 28.010 CG2 :: 19.010 CD1 :: 14.681 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.772 HA :: 4.923 HB :: 1.786 HG12 :: 1.059 HG13 :: 1.565 HG21 :: 0.760 HG22 :: 0.760 HG23 :: 0.760 HD11 :: 0.862 HD12 :: 0.862 HD13 :: 0.862 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 124.911 Ave N Shift Values>> N :: 121.6(4.72) 1.T51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.74 C 0.24 C Shift Assignments>> C :: 173.229 CA :: 59.139 CB :: 71.594 CG2 :: 21.511 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 9.030 HA :: 5.009 HB :: 3.997 HG21 :: 1.215 HG22 :: 1.215 HG23 :: 1.215 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 122.373 Ave N Shift Values>> N :: 115.7(5.05) 1.P52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.43 P 0.2 C 0.19 W 0.03 K 0.03 I 0.02 Q 0.02 M 0.01 R 0.01 E 0.01 C Shift Assignments>> C :: 175.275 CA :: 62.056 CB :: 33.477 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 5.122 HB2 :: 1.736 HB3 :: 2.088 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.E53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.33 M 0.2 Q 0.03 K 0.02 I 0.02 C Shift Assignments>> C :: 174.817 CA :: 56.525 CB :: 31.620 CG :: 36.184 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.797 HA :: 4.427 HB2 :: 1.812 HB3 :: 1.812 HG2 :: 1.866 HG3 :: 1.789 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.918 Ave N Shift Values>> N :: 120.68(3.68) 1.H54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.21 L 0.21 C 0.12 K 0.12 Q 0.1 H 0.06 W 0.05 I 0.04 E 0.03 C Shift Assignments>> C :: 171.982 CA :: 56.776 CB :: 26.469 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.879 HA :: 4.170 HB2 :: 3.333 HB3 :: 3.324 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 118.018 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.A55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.37 A 0.25 C 0.2 M 0.09 K 0.04 P 0.01 C Shift Assignments>> C :: 174.966 CA :: 50.678 CB :: 22.970 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.268 HA :: 4.910 HB1 :: 1.202 HB2 :: 1.202 HB3 :: 1.202 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 114.482 Ave N Shift Values>> N :: 123.23(3.7) 1.K56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 K 0.4 R 0.13 M 0.02 G 0.01 C Shift Assignments>> C :: 175.801 CA :: 54.939 CB :: 35.265 CG :: 24.291 CD :: 29.010 CE :: 42.256 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.863 HA :: 4.755 HB2 :: 1.639 HB3 :: 1.903 HG2 :: 1.372 HG3 :: 1.451 HD2 :: 1.610 HD3 :: 1.682 HE2 :: 2.932 HE3 :: 2.932 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 119.737 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.I57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.49 C 0.47 A 0.02 C Shift Assignments>> C :: 175.307 CA :: 58.571 CB :: 40.948 CG1 :: 25.420 CG2 :: 18.010 CD1 :: 13.997 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.785 HA :: 5.208 HB :: 2.017 HG12 :: 1.534 HG13 :: 0.890 HG21 :: 0.688 HG22 :: 0.688 HG23 :: 0.688 HD11 :: 0.733 HD12 :: 0.733 HD13 :: 0.733 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 117.825 Ave N Shift Values>> N :: 121.6(4.72) 1.A58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.84 M 0.11 C 0.02 C Shift Assignments>> C :: 177.580 CA :: 51.185 CB :: 19.526 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.235 HA :: 4.436 HB1 :: 1.532 HB2 :: 1.532 HB3 :: 1.532 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.369 Ave N Shift Values>> N :: 123.23(3.7) 1.D59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.21 L 0.15 F 0.15 C 0.13 Y 0.13 K 0.1 N 0.07 I 0.01 R 0.01 C Shift Assignments>> C :: 176.630 CA :: 55.665 CB :: 40.591 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.357 HA :: 4.404 HB2 :: 2.604 HB3 :: 2.545 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.237 Ave N Shift Values>> N :: 120.73(4.2) 1.V60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.78 C 0.21 C Shift Assignments>> C :: 176.012 CA :: 62.856 CB :: 32.810 CG1 :: 21.010 CG2 :: 22.021 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.361 HA :: 4.065 HB :: 2.052 HG11 :: 0.956 HG12 :: 0.956 HG13 :: 0.956 HG21 :: 1.115 HG22 :: 1.115 HG23 :: 1.115 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 124.820 Ave N Shift Values>> N :: 121.02(4.96) 1.Q61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.28 K 0.26 C 0.25 R 0.07 M 0.07 E 0.05 C Shift Assignments>> C :: 174.849 CA :: 53.870 CB :: 28.882 CG :: 33.442 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.703 HA :: 4.524 HB2 :: 1.956 HB3 :: 1.978 HG2 :: 2.290 HG3 :: 2.290 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 128.224 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.L62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 C 0.41 R 0.01 K 0.01 C Shift Assignments>> C :: 175.848 CA :: 52.859 CB :: 40.009 CG :: 28.042 CD1 :: 26.358 CD2 :: 25.010 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.610 HA :: 4.512 HB2 :: 1.757 HB3 :: 1.587 HG :: 1.681 HD11 :: 1.000 HD12 :: 1.000 HD13 :: 1.000 HD21 :: 0.907 HD22 :: 0.907 HD23 :: 0.907 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 127.363 Ave N Shift Values>> N :: 121.98(4.07) 1.P63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.39 P 0.26 C 0.14 W 0.05 I 0.03 K 0.02 R 0.02 M 0.01 E 0.01 H 0.01 Q 0.01 C Shift Assignments>> C :: 177.272 CA :: 62.127 CB :: 32.628 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.641 HB2 :: 2.112 HB3 :: 2.422 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.Q64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 Q 0.24 K 0.22 E 0.15 M 0.06 R 0.04 I 0.01 C Shift Assignments>> C :: 176.989 CA :: 57.546 CB :: 29.354 CG :: 34.003 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.980 HA :: 4.116 HB2 :: 2.149 HB3 :: 2.149 HG2 :: 2.564 HG3 :: 2.588 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 123.192 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.G65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.28 L 0.26 G 0.24 C 0.1 D 0.03 F 0.03 Y 0.02 K 0.01 C Shift Assignments>> C :: 173.256 CA :: 44.008 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.595 HA2 :: 3.143 HA3 :: 4.667 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 115.580 Ave N Shift Values>> N :: 109.91(4.29) 1.V66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 V 0.46 C Shift Assignments>> C :: 175.124 CA :: 59.994 CB :: 34.264 CG1 :: 21.531 CG2 :: 19.510 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.706 HA :: 4.502 HB :: 2.106 HG11 :: 0.991 HG12 :: 0.991 HG13 :: 0.991 HG21 :: 0.825 HG22 :: 0.825 HG23 :: 0.825 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 117.637 Ave N Shift Values>> N :: 121.02(4.96) 1.W67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.15 E 0.14 R 0.13 C 0.13 H 0.11 Q 0.1 K 0.08 M 0.04 I 0.04 V 0.02 C Shift Assignments>> C :: 176.449 CA :: 58.225 CB :: 30.090 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 8.622 HA :: 4.843 HB2 :: 3.069 HB3 :: 3.039 HE1 :: 10.034 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 122.710 NE1 :: 128.942 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.H68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.11 D 0.11 M 0.09 H 0.08 C 0.07 Q 0.07 R 0.06 K 0.06 N 0.05 A 0.05 W 0.04 E 0.04 Y 0.03 F 0.03 S 0.01 C Shift Assignments>> C :: 172.920 CA :: 55.084 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 9.212 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 124.593 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.E69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.38 E 0.32 M 0.22 Q 0.02 K 0.02 I 0.01 C Shift Assignments>> C :: 174.065 CA :: 55.490 CB :: 31.528 CG :: 36.298 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> HA :: 4.796 HB2 :: 1.675 HB3 :: 1.794 HG2 :: 1.967 HG3 :: 1.967 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) 1.D70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.48 L 0.21 C 0.11 R 0.09 D 0.04 F 0.01 HN Overlap>> 1.F13 1.F13 C Shift Assignments>> C :: 176.425 CA :: 53.089 CB :: 44.538 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.019 HA :: 4.721 HB2 :: 2.851 HB3 :: 3.093 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 121.454 Ave N Shift Values>> N :: 120.73(4.2) 1.E71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.32 C 0.32 K 0.13 Q 0.09 I 0.07 M 0.04 C Shift Assignments>> C :: 175.857 CA :: 57.660 CB :: 29.422 CG :: 35.821 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.811 HA :: 4.079 HB2 :: 1.755 HB3 :: 1.766 HG2 :: 1.776 HG3 :: 1.882 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.166 Ave N Shift Values>> N :: 120.68(3.68) 1.F72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.28 Y 0.25 I 0.2 C 0.18 L 0.02 K 0.02 D 0.01 C Shift Assignments>> C :: 176.979 CA :: 59.556 CB :: 39.877 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.434 HA :: 4.346 HB2 :: 2.888 HB3 :: 2.873 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 121.090 Ave N Shift Values>> N :: 120.69(4.18) 1.Y73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.26 F 0.26 C 0.19 I 0.09 D 0.06 L 0.05 N 0.01 E 0.01 K 0.01 C Shift Assignments>> C :: 176.394 CA :: 57.784 CB :: 39.494 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.835 HA :: 4.576 HB2 :: 2.680 HB3 :: 3.144 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 116.401 Ave N Shift Values>> N :: 120.79(4.69) 1.G74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 C 0.08 L 0.08 R 0.02 C Shift Assignments>> C :: 174.756 CA :: 45.529 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.707 HA2 :: 3.978 HA3 :: 4.196 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.794 Ave N Shift Values>> N :: 109.91(4.29) 1.K75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.38 R 0.19 M 0.02 C Shift Assignments>> C :: 176.720 CA :: 56.820 CB :: 33.047 CG :: 25.347 CD :: 29.343 CE :: 41.800 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.738 HA :: 5.037 HB2 :: 1.781 HB3 :: 1.868 HG2 :: 1.400 HG3 :: 1.323 HD2 :: 1.453 HD3 :: 1.453 HE2 :: 2.525 HE3 :: 2.625 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 126.972 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.S76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.52 T 0.47 C Shift Assignments>> C :: 171.364 CA :: 58.446 CB :: 66.978 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.294 HA :: 4.903 HB2 :: 3.796 HB3 :: 3.880 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 121.508 Ave N Shift Values>> N :: 116.3(3.95) 1.E77 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> C 0.35 E 0.34 M 0.17 K 0.05 Q 0.04 I 0.01 HN Overlap>> 1.L4 1.L4 C Shift Assignments>> C :: 176.918 CA :: 55.297 CB :: 30.848 CG :: 36.150 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.277 HA :: 3.951 HB2 :: 0.834(S) HB3 :: 1.164(S) HG2 :: 0.863(S) HG3 :: 0.863(A) Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 124.161 Ave N Shift Values>> N :: 120.68(3.68) 1.I78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 I 0.36 G 0.1 A 0.01 C Shift Assignments>> C :: 173.511 CA :: 59.347 CB :: 42.859 CG1 :: 25.784 CG2 :: 18.780 CD1 :: 13.476 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.331 HA :: 5.055 HB :: 1.530 HG12 :: 0.970 HG13 :: 0.655 HG21 :: 0.423 HG22 :: 0.423 HG23 :: 0.423 HD11 :: -0.173 HD12 :: -0.173 HD13 :: -0.173 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 121.887 Ave N Shift Values>> N :: 121.6(4.72) 1.Y79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.21 K 0.19 D 0.17 C 0.1 F 0.1 Y 0.08 R 0.07 N 0.03 C Shift Assignments>> C :: 175.079 CA :: 55.670 CB :: 41.606 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.736 HA :: 5.276 HB2 :: 2.216 HB3 :: 2.976 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 116.283 Ave N Shift Values>> N :: 120.79(4.69) 1.R80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.23 M 0.21 Q 0.18 K 0.14 E 0.08 H 0.03 W 0.02 R 0.02 N 0.01 Y 0.01 C Shift Assignments>> C :: 176.088 CA :: 54.618 CB :: 34.343 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.358 HA :: 4.630 HB2 :: 1.609 HB3 :: 1.966 HD2 :: 3.090 HD3 :: 3.090 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 118.543 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.D81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.28 Y 0.23 C 0.17 I 0.13 K 0.06 L 0.05 D 0.02 R 0.01 C Shift Assignments>> C :: 174.720 CA :: 59.065 CB :: 40.403 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 9.009 HA :: 4.391 HB2 :: 2.928 HB3 :: 3.089 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 115.480 Ave N Shift Values>> N :: 120.73(4.2) 1.R82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 R 0.37 K 0.15 G 0.07 C Shift Assignments>> C :: 174.057 CA :: 55.523 CB :: 32.628 CG :: 27.052 CD :: 43.379 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.998 HA :: 5.040 HB2 :: 1.838 HB3 :: 1.838 HG2 :: 1.473 HG3 :: 1.508 HD2 :: 3.147 HD3 :: 3.137 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 124.062 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.L83 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.51 A 0.21 C 0.18 L 0.05 R 0.01 C Shift Assignments>> C :: 174.281 CA :: 54.026 CB :: 45.405 CG :: 27.021 CD1 :: 21.278 CD2 :: 26.396 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.713 HA :: 4.582 HB2 :: 0.756 HB3 :: 1.567 HG :: 1.051 HD11 :: -0.025 HD12 :: -0.025 HD13 :: -0.025 HD21 :: -0.259(S) HD22 :: -0.259(S) HD23 :: -0.259(S) Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 126.191 Ave N Shift Values>> N :: 121.98(4.07) 1.T84 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 :: 172.529 CA :: 61.232 CB :: 70.446 CG2 :: 21.319 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.532 HA :: 5.235 HB :: 3.875 HG21 :: 1.046 HG22 :: 1.046 HG23 :: 1.046 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 123.547 Ave N Shift Values>> N :: 115.7(5.05) 1.L85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 L 0.09 C 0.08 C Shift Assignments>> C :: 173.095 CA :: 50.737 CB :: 45.668 CG :: 26.979 CD1 :: 25.969 CD2 :: 25.632 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.701 HA :: 5.084 HB2 :: 1.533 HB3 :: 1.814 HG :: 1.620 HD11 :: 0.939 HD12 :: 0.939 HD13 :: 0.939 HD21 :: 0.894 HD22 :: 0.894 HD23 :: 0.894 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 128.161 Ave N Shift Values>> N :: 121.98(4.07) 1.P86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.31 P 0.22 C 0.15 W 0.08 I 0.06 R 0.03 E 0.03 K 0.02 M 0.02 H 0.01 C Shift Assignments>> C :: 176.393 CA :: 61.727 CB :: 31.862 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 5.172 HB2 :: 1.981 HB3 :: 2.243 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.V87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.5 C 0.49 HN Overlap>> 1.T88 1.T88 C Shift Assignments>> C :: 175.392 CA :: 60.696 CB :: 35.443 CG1 :: 21.653 CG2 :: 21.653 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.315 HA :: 4.443 HB :: 1.934 HG11 :: 0.845 HG12 :: 0.845 HG13 :: 0.845 HG21 :: 0.845 HG22 :: 0.845 HG23 :: 0.845 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 125.245 Ave N Shift Values>> N :: 121.02(4.96) 1.T88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> 1.V87 1.V87 C Shift Assignments>> C :: 173.342 CA :: 62.301 CB :: 70.017 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 9.334 HA :: 4.909 HB :: 3.958 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 125.286 Ave N Shift Values>> N :: 115.7(5.05) 1.I89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.56 C 0.43 C Shift Assignments>> C :: 175.261 CA :: 59.880 CB :: 38.252 CG1 :: 26.222 CG2 :: 18.813 CD1 :: 14.771 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.882 HA :: 4.129 HB :: 2.001 HG12 :: 0.867 HG13 :: 1.475 HG21 :: 0.636 HG22 :: 0.636 HG23 :: 0.636 HD11 :: 0.752 HD12 :: 0.752 HD13 :: 0.752 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 128.207 Ave N Shift Values>> N :: 121.6(4.72) 1.N90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.19 Y 0.18 D 0.17 F 0.16 N 0.15 L 0.06 I 0.02 E 0.02 C Shift Assignments>> C :: 175.124 CA :: 55.551 CB :: 39.169 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 9.026 HA :: 4.736 HB2 :: 2.857 HB3 :: 2.339 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 127.444 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.Q91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 M 0.26 Q 0.22 K 0.15 E 0.06 R 0.02 C Shift Assignments>> C :: 173.145 CA :: 55.768 CB :: 30.797 CG :: 33.010 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.726 HA :: 4.176 HB2 :: 2.015 HB3 :: 2.016 HG2 :: 2.322 HG3 :: 2.397 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 115.441 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.A92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.48 M 0.24 L 0.16 C 0.08 V 0.01 C Shift Assignments>> C :: 176.138 CA :: 53.158 CB :: 21.274 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.342 HA :: 4.740 HB1 :: 1.271 HB2 :: 1.271 HB3 :: 1.271 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.683 Ave N Shift Values>> N :: 123.23(3.7) 1.S93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.775 CA :: 57.789 CB :: 64.496 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.390 HA :: 4.653 HB2 :: 3.816 HB3 :: 4.025 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 120.048 Ave N Shift Values>> N :: 116.3(3.95) 1.A94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.53 M 0.42 C 0.02 I 0.01 C Shift Assignments>> C :: 179.320 CA :: 53.851 CB :: 17.729 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.498 HA :: 4.179 HB1 :: 1.322 HB2 :: 1.322 HB3 :: 1.322 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.702 Ave N Shift Values>> N :: 123.23(3.7) 1.G95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.76 L 0.09 C 0.08 R 0.04 C Shift Assignments>> C :: 174.449 CA :: 45.242 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.109 HA2 :: 3.729 HA3 :: 4.033 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.425 Ave N Shift Values>> N :: 109.91(4.29) 1.A96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.33 A 0.31 M 0.19 C 0.11 K 0.02 C Shift Assignments>> C :: 177.119 CA :: 52.950 CB :: 22.052 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.869 HA :: 4.497 HB1 :: 1.640 HB2 :: 1.640 HB3 :: 1.640 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.521 Ave N Shift Values>> N :: 123.23(3.7) 1.T97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.551 CA :: 59.557 CB :: 74.133 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.333 HA :: 5.155 HB :: 3.848 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 109.165 Ave N Shift Values>> N :: 115.7(5.05) 1.L98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.54 L 0.29 C 0.15 C Shift Assignments>> C :: 175.713 CA :: 53.556 CB :: 45.352 CG :: 26.378 CD1 :: 25.705 CD2 :: 25.031 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.830 HA :: 4.874 HB2 :: 1.308 HB3 :: 1.306 HG :: 1.438 HD11 :: 0.641 HD12 :: 0.641 HD13 :: 0.641 HD21 :: 0.684 HD22 :: 0.684 HD23 :: 0.684 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 117.236 Ave N Shift Values>> N :: 121.98(4.07) 1.T99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.94 C 0.05 C Shift Assignments>> C :: 173.940 CA :: 62.870 CB :: 69.259 CG2 :: 21.845 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.849 HA :: 4.872 HB :: 3.973 HG21 :: 1.049 HG22 :: 1.049 HG23 :: 1.049 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 121.892 Ave N Shift Values>> N :: 115.7(5.05) 1.V100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.28 C 0.27 K 0.07 Q 0.06 E 0.06 M 0.05 I 0.04 P 0.04 W 0.04 Y 0.02 R 0.01 H 0.01 C Shift Assignments>> C :: 173.756 CA :: 60.812 CB :: 34.174 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.371 HA :: 4.977 HB :: 1.848 HG11 :: 0.882 HG12 :: 0.882 HG13 :: 0.882 HG21 :: 1.031 HG22 :: 1.031 HG23 :: 1.031 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 129.946 Ave N Shift Values>> N :: 121.02(4.96) 1.T101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.84 C 0.15 C Shift Assignments>> C :: 172.579 CA :: 60.262 CB :: 71.326 CG2 :: 21.526 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 9.182 HA :: 5.779 HB :: 3.815 HG21 :: 1.133 HG22 :: 1.133 HG23 :: 1.133 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 124.073 Ave N Shift Values>> N :: 115.7(5.05) 1.Y102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.21 Y 0.2 F 0.16 N 0.14 D 0.13 L 0.04 E 0.04 I 0.03 C Shift Assignments>> C :: 172.397 CA :: 55.747 CB :: 38.787 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.212 HA :: 4.833 HB2 :: 2.528 HB3 :: 2.982 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 117.427 Ave N Shift Values>> N :: 120.79(4.69) 1.Q103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.43 C 0.36 Q 0.12 E 0.05 K 0.01 C Shift Assignments>> C :: 173.938 CA :: 54.820 CB :: 32.663 CG :: 33.635 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.337 HA :: 5.049 HB2 :: 1.660 HB3 :: 1.987 HG2 :: 2.265 HG3 :: 2.499 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 117.968 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.G104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.76 L 0.09 C 0.08 R 0.03 C Shift Assignments>> C :: 171.340 CA :: 45.265 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.103 HA2 :: 3.535 HA3 :: 4.411 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 114.319 Ave N Shift Values>> N :: 109.91(4.29) 1.C105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.99 C Shift Assignments>> C :: 175.704 CA :: 56.364 CB :: 51.937 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> HA :: 5.257 HB2 :: 2.054 HB3 :: 2.727 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) 1.A106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.67 C 0.11 L 0.1 M 0.08 C Shift Assignments>> C :: 179.132 CA :: 49.969 CB :: 21.706 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.858 HA :: 4.519 HB1 :: 0.975 HB2 :: 0.975 HB3 :: 0.975 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.705 Ave N Shift Values>> N :: 123.23(3.7) 1.D107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.24 Y 0.21 C 0.16 K 0.1 L 0.1 D 0.07 I 0.06 R 0.01 N 0.01 C Shift Assignments>> C :: 177.434 CA :: 57.771 CB :: 40.538 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.916 HA :: 4.518 HB2 :: 2.465 HB3 :: 2.666 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 125.658 Ave N Shift Values>> N :: 120.73(4.2) 1.A108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.66 M 0.29 C 0.02 C Shift Assignments>> C :: 178.195 CA :: 53.359 CB :: 18.726 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.845 HA :: 4.293 HB1 :: 1.474 HB2 :: 1.474 HB3 :: 1.474 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 117.797 Ave N Shift Values>> N :: 123.23(3.7) 1.G109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.11 L 0.05 C Shift Assignments>> C :: 173.038 CA :: 46.178 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.728 HA2 :: 3.873 HA3 :: 4.487 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 103.819 Ave N Shift Values>> N :: 109.91(4.29) 1.F110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.1 R 0.09 Q 0.09 H 0.08 C 0.08 M 0.08 E 0.07 W 0.07 Y 0.06 L 0.06 F 0.06 S 0.04 D 0.02 C Shift Assignments>> CA :: 56.800 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 6.851 HA :: 4.679 HB2 :: 2.827 HB3 :: 2.466 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 117.941 Ave N Shift Values>> N :: 120.69(4.18) 1.C111 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.Y112 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P113 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.42 V 0.34 I 0.08 C 0.08 W 0.03 C Shift Assignments>> C :: 175.870 CA :: 63.505 CB :: 31.461 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.327 HB2 :: 1.984 HB3 :: 1.658 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.E115 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.46 M 0.34 E 0.14 Q 0.03 C Shift Assignments>> C :: 174.542 CA :: 54.241 CB :: 32.917 CG :: 35.611 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.621 HA :: 4.360 HB2 :: 0.935(S) HB3 :: 1.256(S) HG2 :: 1.969 HG3 :: 2.067 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 125.351 Ave N Shift Values>> N :: 120.68(3.68) 1.T116 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 :: 174.017 CA :: 61.672 CB :: 71.116 CG2 :: 21.493 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.240 HA :: 5.090 HB :: 3.701 HG21 :: 0.946 HG22 :: 0.946 HG23 :: 0.946 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 117.242 Ave N Shift Values>> N :: 115.7(5.05) 1.K117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 K 0.31 R 0.14 G 0.08 A 0.01 M 0.01 C Shift Assignments>> C :: 175.169 CA :: 52.730 CB :: 35.474 CG :: 24.510 CD :: 28.705 CE :: 42.750 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 9.359 HA :: 4.689 HB2 :: 1.567 HB3 :: 1.282 HG2 :: 1.019 HG3 :: 1.160 HD2 :: 1.805 HD3 :: 1.635 HE2 :: 3.062 HE3 :: 3.137 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 126.772 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.T118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.733 CA :: 62.410 CB :: 69.569 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.688 HA :: 4.735 HB :: 3.884 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 118.791 Ave N Shift Values>> N :: 115.7(5.05) 1.V119 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.63 V 0.34 A 0.02 C Shift Assignments>> C :: 172.958 CA :: 58.525 CB :: 33.351 CG1 :: 20.349 CG2 :: 19.599 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.261 HA :: 3.967 HB :: 1.755 HG11 :: 0.551 HG12 :: 0.551 HG13 :: 0.551 HG21 :: -0.140(S) HG22 :: -0.140(S) HG23 :: -0.140(S) Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 129.408 Ave N Shift Values>> N :: 121.02(4.96) 1.P120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.32 P 0.31 C 0.12 I 0.08 W 0.06 R 0.02 E 0.02 K 0.01 H 0.01 M 0.01 C Shift Assignments>> C :: 175.549 CA :: 62.384 CB :: 31.635 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.511 HB2 :: 2.178 HB3 :: 1.955 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.L121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.62 C 0.15 G 0.14 A 0.04 R 0.02 HN Overlap>> 1.V14 1.V14 C Shift Assignments>> C :: 177.282 CA :: 52.616 CB :: 43.395 CG :: 26.358 CD1 :: 25.471 CD2 :: 23.340 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.774 HA :: 4.577 HB2 :: 1.078 HB3 :: 1.390 HG :: 1.387 HD11 :: 0.498 HD12 :: 0.498 HD13 :: 0.498 HD21 :: 0.527 HD22 :: 0.527 HD23 :: 0.527 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.917 Ave N Shift Values>> N :: 121.98(4.07) 1.S122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.145 CA :: 58.127 CB :: 63.893 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.297 HA :: 4.371 HB2 :: 3.811 HB3 :: 3.657 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 119.439 Ave N Shift Values>> N :: 116.3(3.95) 1.E123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.35 M 0.12 I 0.06 K 0.04 Q 0.03 C Shift Assignments>> C :: 176.309 CA :: 57.660 CB :: 30.817 CG :: 36.299 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.205 HA :: 3.641 HB2 :: 1.819 HB3 :: 1.888 HG2 :: 2.399 HG3 :: 2.017 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.007 Ave N Shift Values>> N :: 120.68(3.68) 1.V124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.57 C 0.41 C Shift Assignments>> C :: 175.241 CA :: 61.361 CB :: 35.351 CG1 :: 21.004 CG2 :: 21.001 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.775 HA :: 4.155 HB :: 1.542 HG11 :: 0.343 HG12 :: 0.343 HG13 :: 0.343 HG21 :: 0.545 HG22 :: 0.545 HG23 :: 0.545 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 124.504 Ave N Shift Values>> N :: 121.02(4.96) 1.V125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.71 C 0.28 HN Overlap>> 1.A126 1.A126 C Shift Assignments>> C :: 175.604 CA :: 62.045 CB :: 32.654 CG1 :: 21.358 CG2 :: 20.684 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.641 HA :: 4.187 HB :: 2.035 HG11 :: 0.966 HG12 :: 0.966 HG13 :: 0.966 HG21 :: 0.920 HG22 :: 0.920 HG23 :: 0.920 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 127.676 Ave N Shift Values>> N :: 121.02(4.96) 1.A126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.76 M 0.18 C 0.02 HN Overlap>> 1.V125 1.V125 C Shift Assignments>> C :: 177.806 CA :: 52.379 CB :: 19.475 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.600 HA :: 4.537 HB1 :: 1.377 HB2 :: 1.377 HB3 :: 1.377 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 127.666 Ave N Shift Values>> N :: 123.23(3.7) 1.N127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.44 D 0.19 C 0.15 Y 0.07 F 0.06 L 0.03 E 0.01 C Shift Assignments>> C :: 175.078 CA :: 53.018 CB :: 38.880 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.622 HA :: 4.684 HB2 :: 2.747 HB3 :: 2.747 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 119.392 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.N128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.43 D 0.19 C 0.15 Y 0.07 F 0.06 L 0.03 E 0.01 C Shift Assignments>> C :: 174.688 CA :: 53.122 CB :: 38.880 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.413 HA :: 4.666 HB2 :: 2.757 HB3 :: 2.757 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 119.516 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.A129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.78 M 0.17 C 0.02 C Shift Assignments>> C :: 176.900 CA :: 52.211 CB :: 19.378 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.121 HA :: 4.271 HB1 :: 1.318 HB2 :: 1.318 HB3 :: 1.318 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.059 Ave N Shift Values>> N :: 123.23(3.7) 1.A130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.88 M 0.09 C 0.01 C Shift Assignments>> CA :: 50.231 CB :: 18.358 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.157 HA :: 4.557 HB1 :: 1.330 HB2 :: 1.330 HB3 :: 1.330 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.742 Ave N Shift Values>> N :: 123.23(3.7) 1.P131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.21 V 0.21 T 0.18 S 0.15 I 0.14 C 0.02 F 0.01 Y 0.01 W 0.01 C Shift Assignments>> C :: 176.739 CA :: 63.045 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.407 HB2 :: 2.259 HB3 :: 1.854 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.Q132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.28 C 0.26 K 0.25 M 0.08 R 0.06 E 0.05 C Shift Assignments>> CA :: 53.478 CB :: 29.120 CG :: 33.527 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.418 HA :: 4.580 HB2 :: 2.065 HB3 :: 1.896 HG2 :: 2.410 HG3 :: 2.410 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 121.710 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.P133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.22 T 0.19 P 0.19 I 0.16 S 0.13 C 0.02 F 0.02 Y 0.01 W 0.01 C Shift Assignments>> C :: 176.837 CA :: 62.857 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.448 HB2 :: 1.908 HB3 :: 2.265 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.V134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.76 C 0.23 C Shift Assignments>> C :: 176.734 CA :: 62.699 CB :: 32.808 CG1 :: 20.500 CG2 :: 20.500 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.233 HA :: 4.127 HB :: 2.062 HG11 :: 0.946 HG12 :: 0.946 HG13 :: 0.946 HG21 :: 0.946 HG22 :: 0.946 HG23 :: 0.946 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120.803 Ave N Shift Values>> N :: 121.02(4.96) 1.G135 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.L136 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.V137 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P138 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.R139 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable ########################################################################### Overall Results: #Consistent: 131 #Clerical: 0 #Suspicious: 6 #Anomalous: 2 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 128 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 11 Shift Relative Order (SRO) Results: #Consistent: 139 #Suspicious: 0 C Shift Results: #Consistent: 475 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 726 #Duplicate: 0 #Unknown: 0 #Suspicious: 18 #Anomalous: 2 N Shift Results: #Consistent: 119 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.A19 HB1 = -0.326(S), Expected = 1.38, Std = 0.2500, ChiSquare = 8.8540e-12 1.A19 HB2 = -0.326(S), Expected = 1.38, Std = 0.2500, ChiSquare = 8.8540e-12 1.A19 HB3 = -0.326(S), Expected = 1.38, Std = 0.2500, ChiSquare = 8.8540e-12 1.W35 HE1 = 5.661(A), Expected = 10.13, Std = 0.5300, ChiSquare = 3.3959e-17 1.L43 HD11 = -0.209(S), Expected = 0.77, Std = 0.2700, ChiSquare = 2.8793e-04 1.L43 HD12 = -0.209(S), Expected = 0.77, Std = 0.2700, ChiSquare = 2.8793e-04 1.L43 HD13 = -0.209(S), Expected = 0.77, Std = 0.2700, ChiSquare = 2.8793e-04 1.R45 HB3 = 0.657(S), Expected = 1.78, Std = 0.2800, ChiSquare = 6.0535e-05 1.E77 HB2 = 0.834(S), Expected = 2.04, Std = 0.2200, ChiSquare = 4.2098e-08 1.E77 HB3 = 1.164(S), Expected = 2.04, Std = 0.2300, ChiSquare = 1.3970e-04 1.E77 HG2 = 0.863(S), Expected = 2.31, Std = 0.2100, ChiSquare = 5.5606e-12 1.E77 HG3 = 0.863(A), Expected = 2.31, Std = 0.2100, ChiSquare = 5.5606e-12 1.L83 HD21 = -0.259(S), Expected = 0.76, Std = 0.2800, ChiSquare = 2.7340e-04 1.L83 HD22 = -0.259(S), Expected = 0.76, Std = 0.2800, ChiSquare = 2.7340e-04 1.L83 HD23 = -0.259(S), Expected = 0.76, Std = 0.2800, ChiSquare = 2.7340e-04 1.E115 HB2 = 0.935(S), Expected = 2.04, Std = 0.2200, ChiSquare = 5.0943e-07 1.E115 HB3 = 1.256(S), Expected = 2.04, Std = 0.2300, ChiSquare = 6.5274e-04 1.V119 HG21 = -0.140(S), Expected = 0.83, Std = 0.2900, ChiSquare = 8.2334e-04 1.V119 HG22 = -0.140(S), Expected = 0.83, Std = 0.2900, ChiSquare = 8.2334e-04 1.V119 HG23 = -0.140(S), Expected = 0.83, Std = 0.2900, ChiSquare = 8.2334e-04