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: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 C 0.01 C Shift Assignments>> C :: 170.874 CA :: 55.653 CB :: 61.837 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.464 HA :: 4.164 HB2 :: 3.409 HB3 :: 3.409 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 :: 116.206 Ave N Shift Values>> N :: 116.3(3.95) 1.A3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.73 G 0.18 M 0.05 C 0.01 C Shift Assignments>> C :: 172.643 CA :: 48.656 CB :: 17.737 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.041 HA :: 4.092 HB1 :: 1.115 HB2 :: 1.115 HB3 :: 1.115 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.761 Ave N Shift Values>> N :: 123.23(3.7) 1.S4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 C 0.01 HN Overlap>> 1.S22 1.S22 C Shift Assignments>> C :: 170.462 CA :: 55.735 CB :: 61.837 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.702 HA :: 4.032 HB2 :: 3.350 HB3 :: 3.350 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 :: 112.352 Ave N Shift Values>> N :: 116.3(3.95) 1.F5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 N 0.25 E 0.14 Y 0.11 M 0.06 F 0.05 D 0.03 K 0.02 I 0.01 HN Overlap>> 1.K20 1.K20 C Shift Assignments>> C :: 173.476 CA :: 54.453 CB :: 36.974 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 :: 7.756 HA :: 4.258 HB2 :: 2.876 HB3 :: 2.642 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 118.031 Ave N Shift Values>> N :: 120.69(4.18) 1.L6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 N 0.29 C 0.12 L 0.11 F 0.04 Y 0.03 K 0.03 HN Overlap>> 1.L120 1.L120 1.F32 1.R14 1.F32 1.R14 C Shift Assignments>> C :: 172.543 CA :: 51.704 CB :: 40.703 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 :: 7.792 HA :: 4.068 HB2 :: 1.300 HB3 :: 1.300 HD11 :: 0.638 HD12 :: 0.638 HD13 :: 0.638 HD21 :: 0.638 HD22 :: 0.638 HD23 :: 0.638 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.212 Ave N Shift Values>> N :: 121.98(4.07) 1.R7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.22 H 0.19 Q 0.13 K 0.12 R 0.08 L 0.08 P 0.05 E 0.04 M 0.04 HN Overlap>> 1.F81 1.E19 1.E122 1.Q39 1.F81 1.E19 1.E122 1.Q39 1.E26 1.E26 C Shift Assignments>> C :: 171.274 CA :: 52.294 CB :: 28.802 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.690 HA :: 4.046 HB2 :: 1.528 HB3 :: 1.528 HG2 :: 1.332 HG3 :: 1.332 HD2 :: 2.899 HD3 :: 2.899 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 :: 117.596 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.A8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.68 G 0.25 M 0.04 C 0.01 HN Overlap>> 1.A123 1.A123 C Shift Assignments>> C :: 172.777 CA :: 48.493 CB :: 18.144 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.758 HA :: 4.039 HB1 :: 1.040 HB2 :: 1.040 HB3 :: 1.040 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.702 Ave N Shift Values>> N :: 123.23(3.7) 1.G9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 K 0.18 R 0.14 D 0.1 F 0.07 C 0.07 Y 0.05 I 0.02 N 0.01 G 0.01 C Shift Assignments>> C :: 168.797 CA :: 42.309 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.889 HA2 :: 3.591 HA3 :: 3.461 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 104.668 Ave N Shift Values>> N :: 109.91(4.29) 1.V10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.17 E 0.16 C 0.15 H 0.14 Q 0.11 M 0.09 K 0.08 V 0.02 I 0.02 C Shift Assignments>> C :: 170.865 CA :: 57.499 CB :: 30.674 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 :: 7.385 HA :: 3.987 HB :: 1.724 HG11 :: 0.548 HG12 :: 0.548 HG13 :: 0.548 HG21 :: 0.548 HG22 :: 0.548 HG23 :: 0.548 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 :: 113.407 Ave N Shift Values>> N :: 121.02(4.96) 1.Y11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 N 0.28 M 0.12 E 0.09 Y 0.04 K 0.04 Q 0.02 F 0.01 D 0.01 C Shift Assignments>> C :: 170.136 CA :: 52.643 CB :: 35.963 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 :: 7.953 HA :: 4.380 HB2 :: 2.691 HB3 :: 2.494 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 121.162 Ave N Shift Values>> N :: 120.79(4.69) 1.P12 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.E13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.27 C 0.17 P 0.14 R 0.14 H 0.09 Q 0.08 K 0.06 E 0.01 HN Overlap>> 1.M55 1.M55 1.Q108 1.Q108 C Shift Assignments>> C :: 171.752 CA :: 52.279 CB :: 27.175 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.857 HA :: 4.069 HB2 :: 1.633 HB3 :: 1.633 HG2 :: 2.090 HG3 :: 2.090 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 116.631 Ave N Shift Values>> N :: 120.68(3.68) 1.R14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.23 H 0.19 Q 0.13 K 0.11 R 0.08 L 0.07 P 0.06 M 0.04 E 0.04 HN Overlap>> 1.L6 1.F32 1.L6 1.F32 C Shift Assignments>> C :: 171.682 CA :: 52.186 CB :: 28.889 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.760 HA :: 4.151 HB2 :: 1.334 HB3 :: 1.334 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 :: 118.238 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.V15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.17 R 0.16 C 0.16 H 0.13 Q 0.11 K 0.07 M 0.06 I 0.05 V 0.04 C Shift Assignments>> C :: 171.682 CA :: 58.384 CB :: 30.430 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 :: 7.655 HA :: 3.939 HB :: 1.803 HG11 :: 0.653 HG12 :: 0.653 HG13 :: 0.653 HG21 :: 0.653 HG22 :: 0.653 HG23 :: 0.653 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 :: 115.869 Ave N Shift Values>> N :: 121.02(4.96) 1.G16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.24 K 0.24 D 0.13 F 0.09 R 0.09 C 0.07 Y 0.06 I 0.03 N 0.01 C Shift Assignments>> C :: 169.305 CA :: 41.984 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.968 HA2 :: 3.568 HA3 :: 3.568 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.152 Ave N Shift Values>> N :: 109.91(4.29) 1.D17 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 N 0.33 P 0.1 M 0.05 Y 0.01 E 0.01 HN Overlap>> 1.D64 1.D37 1.D64 1.D37 C Shift Assignments>> C :: 169.305(S) CA :: 49.827 CB :: 36.083 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 :: 8.016 HA :: 4.372 HB3 :: 2.358 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 117.261 Ave N Shift Values>> N :: 120.73(4.2) 1.K18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.36 R 0.19 C 0.18 Q 0.1 H 0.09 P 0.02 E 0.02 HN Overlap>> 1.N49 1.M33 1.N49 1.M33 1.N129 1.C93 1.N129 1.C93 C Shift Assignments>> C :: 172.189 CA :: 53.026 CB :: 26.832 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.829 HA :: 4.389 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 117.132 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.34 R 0.18 C 0.16 Q 0.1 H 0.09 K 0.06 E 0.02 HN Overlap>> 1.E101 1.F81 1.E101 1.F81 1.E122 1.N77 1.R7 1.N27 1.E26 1.E122 1.N77 1.R7 1.N27 1.E26 C Shift Assignments>> C :: 171.445 CA :: 53.312 CB :: 26.850 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.782 HA :: 4.017 HB2 :: 1.735 HB3 :: 1.609 HG2 :: 2.106 HG3 :: 2.106 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 117.574 Ave N Shift Values>> N :: 120.68(3.68) 1.K20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.23 M 0.17 H 0.16 R 0.12 P 0.08 K 0.07 Q 0.07 E 0.04 HN Overlap>> 1.F5 1.I47 1.F5 1.I47 C Shift Assignments>> C :: 171.697 CA :: 52.399 CB :: 31.162 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.656 HA :: 4.017 HB2 :: 1.306 HB3 :: 1.306 HG2 :: 1.148 HG3 :: 1.148 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 118.047 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.A21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.71 G 0.21 M 0.04 C 0.01 C Shift Assignments>> C :: 172.710 CA :: 48.575 CB :: 17.981 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.908 HA :: 4.125 HB1 :: 1.043 HB2 :: 1.043 HB3 :: 1.043 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.514 Ave N Shift Values>> N :: 123.23(3.7) 1.S22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.97 C 0.02 HN Overlap>> 1.S4 1.S4 C Shift Assignments>> C :: 170.514 CA :: 55.247 CB :: 61.756 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.749 HA :: 4.093 HB2 :: 3.414 HB3 :: 3.414 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 :: 112.426 Ave N Shift Values>> N :: 116.3(3.95) 1.E23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.26 C 0.17 R 0.14 P 0.13 H 0.09 Q 0.08 K 0.06 E 0.01 HN Overlap>> 1.Y54 1.Y54 C Shift Assignments>> C :: 171.600 CA :: 52.317 CB :: 27.257 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.824 HA :: 4.138 HB2 :: 1.750 HB3 :: 1.592 HG2 :: 2.077 HG3 :: 2.077 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 118.577 Ave N Shift Values>> N :: 120.68(3.68) 1.T24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.61 T 0.38 C Shift Assignments>> C :: 170.331 CA :: 58.501 CB :: 66.801 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.580 HA :: 4.002 HB :: 3.826 HG21 :: 0.849 HG22 :: 0.849 HG23 :: 0.849 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 111.706 Ave N Shift Values>> N :: 115.7(5.05) 1.E25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.27 C 0.17 R 0.14 P 0.13 H 0.09 Q 0.08 K 0.06 E 0.01 HN Overlap>> 1.L50 1.L50 C Shift Assignments>> C :: 171.535 CA :: 52.298 CB :: 27.175 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.779 HA :: 4.082 HB2 :: 1.724 HB3 :: 1.598 HG2 :: 2.077 HG3 :: 2.077 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 118.915 Ave N Shift Values>> N :: 120.68(3.68) 1.E26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.27 C 0.17 R 0.14 P 0.12 H 0.09 Q 0.08 K 0.06 E 0.01 HN Overlap>> 1.F81 1.E19 1.E122 1.Q39 1.R7 1.F81 1.E19 1.E122 1.Q39 1.R7 C Shift Assignments>> C :: 171.177 CA :: 52.339 CB :: 27.175 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.743 HA :: 4.028 HB2 :: 1.728 HB3 :: 1.593 HG2 :: 2.061 HG3 :: 2.061 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 117.546 Ave N Shift Values>> N :: 120.68(3.68) 1.N27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.56 C 0.3 D 0.04 Y 0.02 M 0.01 F 0.01 HN Overlap>> 1.E101 1.E19 1.N77 1.E101 1.E19 1.N77 1.N97 1.N97 C Shift Assignments>> C :: 171.632 CA :: 50.105 CB :: 37.253 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.873 HA :: 4.350 HB2 :: 2.338 HB3 :: 2.338 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 117.584 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.G28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.31 R 0.23 K 0.13 D 0.08 C 0.07 F 0.06 Y 0.04 G 0.02 I 0.01 C Shift Assignments>> C :: 169.550 CA :: 42.635 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.885 HA2 :: 3.617 HA3 :: 3.487 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.908 Ave N Shift Values>> N :: 109.91(4.29) 1.S29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 C 0.01 HN Overlap>> 1.T98 1.T98 C Shift Assignments>> C :: 170.606 CA :: 55.491 CB :: 61.919 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.785 HA :: 4.086 HB2 :: 3.409 HB3 :: 3.409 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 113.122 Ave N Shift Values>> N :: 116.3(3.95) 1.D30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 N 0.29 P 0.13 M 0.05 G 0.01 Y 0.01 E 0.01 C Shift Assignments>> C :: 170.982 CA :: 49.632 CB :: 35.963 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 :: 8.082 HA :: 4.422 HB2 :: 2.547 HB3 :: 2.358 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 :: 119.098 Ave N Shift Values>> N :: 120.73(4.2) 1.S31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.97 C 0.02 HN Overlap>> 1.T134 1.T134 C Shift Assignments>> C :: 170.266 CA :: 55.572 CB :: 61.593 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.482 HA :: 4.012 HB2 :: 3.318 HB3 :: 3.318 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 :: 112.560 Ave N Shift Values>> N :: 116.3(3.95) 1.F32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 N 0.26 E 0.13 Y 0.11 F 0.06 M 0.05 D 0.04 K 0.01 I 0.01 HN Overlap>> 1.L120 1.L6 1.L120 1.L6 1.R14 1.R14 C Shift Assignments>> C :: 171.437 CA :: 54.411 CB :: 37.102 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 :: 7.791 HA :: 4.272 HB2 :: 2.861 HB3 :: 2.629 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 118.170 Ave N Shift Values>> N :: 120.69(4.18) 1.M33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.24 M 0.17 H 0.16 R 0.12 K 0.08 P 0.07 Q 0.06 E 0.04 HN Overlap>> 1.N49 1.N49 1.K18 1.N129 1.K18 1.N129 C Shift Assignments>> C :: 171.437 CA :: 52.480 CB :: 31.406 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 7.881 HA :: 4.118 HB2 :: 1.646 HB3 :: 1.646 HG2 :: 2.221 HG3 :: 2.221 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 117.160 Ave N Shift Values>> N :: 120.1(3.88) 1.H34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.26 L 0.25 C 0.16 R 0.12 H 0.07 Q 0.06 K 0.04 E 0.01 HN Overlap>> 1.H72 1.H72 C Shift Assignments>> C :: 170.169 CA :: 51.992 CB :: 27.013 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 7.976 HA :: 4.441 HB2 :: 2.953 HB3 :: 2.824 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 :: 116.343 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.S35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.97 C 0.02 C Shift Assignments>> C :: 170.467 CA :: 55.491 CB :: 61.675 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.002 HA :: 4.121 HB2 :: 3.410 HB3 :: 3.410 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 114.522 Ave N Shift Values>> N :: 116.3(3.95) 1.M36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.24 P 0.2 M 0.17 H 0.12 R 0.09 K 0.08 Q 0.03 E 0.02 HN Overlap>> 1.M74 1.M74 C Shift Assignments>> C :: 171.152 CA :: 52.073 CB :: 31.895 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 7.976 HA :: 4.177 HB2 :: 1.640 HB3 :: 1.640 HG2 :: 2.247 HG3 :: 2.247 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 118.592 Ave N Shift Values>> N :: 120.1(3.88) 1.D37 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.64 C 0.23 N 0.06 P 0.03 M 0.01 HN Overlap>> 1.D17 1.D17 C Shift Assignments>> C :: 169.852(S) CA :: 48.018 CB :: 35.800 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 :: 8.116 HA :: 4.619 HB2 :: 2.561 HB3 :: 2.320 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 117.219 Ave N Shift Values>> N :: 120.73(4.2) 1.P38 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.Q39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.34 R 0.18 C 0.16 Q 0.09 H 0.09 K 0.06 E 0.02 P 0.01 HN Overlap>> 1.R7 1.E26 1.R7 1.E26 C Shift Assignments>> C :: 171.998 CA :: 53.251 CB :: 26.850 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 :: 7.652 HA :: 3.954 HB2 :: 1.703 HB3 :: 1.703 HG2 :: 2.076 HG3 :: 2.076 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 :: 117.503 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.L40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 N 0.32 C 0.13 L 0.09 F 0.04 Y 0.03 K 0.02 C Shift Assignments>> C :: 172.738 CA :: 51.504 CB :: 40.519 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 :: 7.468 HA :: 4.021 HB2 :: 1.293 HB3 :: 1.293 HD11 :: 0.632 HD12 :: 0.632 HD13 :: 0.632 HD21 :: 0.632 HD22 :: 0.632 HD23 :: 0.632 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 :: 117.966 Ave N Shift Values>> N :: 121.98(4.07) 1.E41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.31 C 0.17 R 0.15 H 0.09 Q 0.08 P 0.07 K 0.06 E 0.01 HN Overlap>> 1.I82 1.I82 C Shift Assignments>> C :: 171.665 CA :: 52.561 CB :: 27.013 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.623 HA :: 3.999 HB2 :: 1.633 HB3 :: 1.633 HG2 :: 2.077 HG3 :: 2.077 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 116.668 Ave N Shift Values>> N :: 120.68(3.68) 1.R42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.21 H 0.2 Q 0.14 K 0.13 R 0.08 L 0.08 E 0.05 M 0.04 P 0.03 HN Overlap>> 1.M66 1.K60 1.M66 1.K60 C Shift Assignments>> C :: 171.819 CA :: 52.480 CB :: 28.803 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.661 HA :: 4.029 HB2 :: 1.492 HB3 :: 1.324 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 :: 117.887 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.Q43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.25 C 0.17 R 0.15 H 0.12 Q 0.11 K 0.09 P 0.03 E 0.03 M 0.01 C Shift Assignments>> C :: 171.811 CA :: 52.846 CB :: 27.554 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 :: 7.902 HA :: 4.047 HB2 :: 1.646 HB3 :: 1.646 HG2 :: 1.972 HG3 :: 1.972 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 118.795 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.V44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.17 R 0.16 C 0.16 H 0.14 Q 0.11 K 0.07 M 0.07 I 0.04 V 0.03 C Shift Assignments>> C :: 171.425 CA :: 58.228 CB :: 30.430 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 :: 7.568 HA :: 3.944 HB :: 1.802 HG11 :: 0.613 HG12 :: 0.613 HG13 :: 0.613 HG21 :: 0.613 HG22 :: 0.613 HG23 :: 0.613 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 :: 115.129 Ave N Shift Values>> N :: 121.02(4.96) 1.E45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.28 C 0.17 R 0.15 H 0.1 Q 0.09 P 0.09 K 0.07 E 0.02 M 0.01 HN Overlap>> 1.N131 1.N131 C Shift Assignments>> C :: 171.665 CA :: 52.480 CB :: 27.257 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.895 HA :: 4.118 HB2 :: 1.635 HB3 :: 1.635 HG2 :: 2.092 HG3 :: 2.092 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 :: 119.735 Ave N Shift Values>> N :: 120.68(3.68) 1.T46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.67 T 0.32 C Shift Assignments>> C :: 170.429 CA :: 58.373 CB :: 66.712 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.602 HA :: 4.092 HB :: 3.831 HG21 :: 0.848 HG22 :: 0.848 HG23 :: 0.848 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 :: 112.708 Ave N Shift Values>> N :: 115.7(5.05) 1.I47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.29 C 0.28 Y 0.12 M 0.07 I 0.06 F 0.05 K 0.05 Q 0.01 V 0.01 HN Overlap>> 1.K20 1.K20 C Shift Assignments>> C :: 171.705 CA :: 57.804 CB :: 36.217 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.648 HA :: 3.997 HB :: 1.573 HG21 :: 0.617 HG22 :: 0.617 HG23 :: 0.617 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 118.159 Ave N Shift Values>> N :: 121.6(4.72) 1.R48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.2 H 0.2 Q 0.15 K 0.14 R 0.09 L 0.08 E 0.06 M 0.04 P 0.01 C Shift Assignments>> C :: 171.697 CA :: 52.806 CB :: 28.803 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.842 HA :: 4.006 HB2 :: 1.453 HB3 :: 1.342 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 :: 120.493 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.N49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.54 C 0.31 D 0.03 Y 0.02 M 0.02 F 0.01 E 0.01 P 0.01 HN Overlap>> 1.M33 1.Y117 1.L124 1.K18 1.N129 1.M33 1.Y117 1.L124 1.K18 1.N129 C Shift Assignments>> C :: 171.431 CA :: 50.283 CB :: 37.021 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.819 HA :: 4.332 HB2 :: 2.339 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 :: 117.154 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.L50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 N 0.32 C 0.12 L 0.09 F 0.04 Y 0.04 K 0.02 HN Overlap>> 1.E25 1.E25 1.E85 1.E85 C Shift Assignments>> C :: 172.770 CA :: 52.090 CB :: 40.357 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 :: 7.746 HA :: 4.044 HB2 :: 1.306 HB3 :: 1.306 HD11 :: 0.625 HD12 :: 0.625 HD13 :: 0.625 HD21 :: 0.625 HD22 :: 0.625 HD23 :: 0.625 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.991 Ave N Shift Values>> N :: 121.98(4.07) 1.V51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.17 C 0.16 R 0.15 H 0.13 Q 0.11 K 0.09 I 0.06 M 0.05 V 0.03 C Shift Assignments>> C :: 171.600 CA :: 58.664 CB :: 30.104 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 :: 7.506 HA :: 3.846 HB :: 1.812 HG11 :: 0.629 HG12 :: 0.629 HG13 :: 0.629 HG21 :: 0.629 HG22 :: 0.629 HG23 :: 0.629 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 :: 114.315 Ave N Shift Values>> N :: 121.02(4.96) 1.D52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 N 0.28 P 0.14 M 0.05 Y 0.01 E 0.01 K 0.01 C Shift Assignments>> C :: 171.112 CA :: 49.876 CB :: 35.882 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 :: 7.946 HA :: 4.364 HB2 :: 2.495 HB3 :: 2.380 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 :: 119.071 Ave N Shift Values>> N :: 120.73(4.2) 1.S53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.97 C 0.02 C Shift Assignments>> C :: 170.331 CA :: 55.572 CB :: 61.593 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.492 HA :: 4.014 HB2 :: 3.470 HB3 :: 3.470 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 :: 112.907 Ave N Shift Values>> N :: 116.3(3.95) 1.Y54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 E 0.23 M 0.11 N 0.1 Y 0.09 K 0.05 F 0.04 Q 0.02 I 0.01 D 0.01 HN Overlap>> 1.L86 1.E23 1.L86 1.E23 C Shift Assignments>> C :: 171.665 CA :: 55.263 CB :: 36.298 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 :: 7.731 HA :: 4.142 HB2 :: 2.730 HB3 :: 2.579 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 118.521 Ave N Shift Values>> N :: 120.79(4.69) 1.M55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 M 0.18 H 0.14 P 0.12 R 0.11 K 0.09 Q 0.05 E 0.03 HN Overlap>> 1.E13 1.Q108 1.E13 1.Q108 C Shift Assignments>> C :: 171.372 CA :: 52.317 CB :: 31.650 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 7.782 HA :: 4.081 HB2 :: 1.659 HB3 :: 1.659 HG2 :: 2.260 HG3 :: 2.260 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 116.613 Ave N Shift Values>> N :: 120.1(3.88) 1.A56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.76 G 0.15 M 0.06 C 0.01 C Shift Assignments>> C :: 172.630 CA :: 48.737 CB :: 17.655 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.714 HA :: 4.084 HB1 :: 1.029 HB2 :: 1.029 HB3 :: 1.029 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.150 Ave N Shift Values>> N :: 123.23(3.7) 1.I57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.29 C 0.28 Y 0.11 M 0.08 K 0.05 I 0.05 F 0.05 Q 0.02 V 0.01 HN Overlap>> 1.I130 1.I130 1.V135 1.V135 C Shift Assignments>> C :: 171.600 CA :: 57.707 CB :: 36.126 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.592 HA :: 3.931 HB :: 1.566 HG21 :: 0.600 HG22 :: 0.600 HG23 :: 0.600 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 :: 115.479 Ave N Shift Values>> N :: 121.6(4.72) 1.V58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.17 R 0.16 C 0.15 H 0.15 Q 0.12 K 0.08 M 0.07 I 0.03 V 0.02 HN Overlap>> 1.I126 1.I126 C Shift Assignments>> C :: 171.356 CA :: 57.729 CB :: 30.339 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 :: 7.490 HA :: 3.959 HB :: 1.789 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 :: 117.121 Ave N Shift Values>> N :: 121.02(4.96) 1.N59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.55 C 0.31 D 0.03 Y 0.02 M 0.02 F 0.01 E 0.01 HN Overlap>> 1.F83 1.N76 1.F83 1.N76 C Shift Assignments>> CA :: 50.202 CB :: 37.102 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.932 HA :: 4.353 HB2 :: 2.338 HB3 :: 2.338 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 :: 119.901 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.K60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.22 H 0.18 M 0.17 R 0.14 Q 0.09 K 0.08 E 0.06 P 0.01 HN Overlap>> 1.R42 1.M66 1.R42 1.M66 C Shift Assignments>> C :: 172.152 CA :: 53.015 CB :: 31.028 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.731 HA :: 4.070 HB2 :: 1.364 HB3 :: 1.364 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 117.918 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.T61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.69 T 0.3 C Shift Assignments>> C :: 170.721 CA :: 59.234 CB :: 66.475 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.715 HA :: 4.021 HB :: 3.825 HG21 :: 0.846 HG22 :: 0.846 HG23 :: 0.846 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 :: 112.066 Ave N Shift Values>> N :: 115.7(5.05) 1.V62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.17 C 0.15 R 0.15 H 0.13 Q 0.12 K 0.1 I 0.06 M 0.05 V 0.03 C Shift Assignments>> C :: 171.600 CA :: 58.514 CB :: 30.023 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 :: 7.496 HA :: 3.934 HB :: 1.808 HG11 :: 0.639 HG12 :: 0.639 HG13 :: 0.639 HG21 :: 0.639 HG22 :: 0.639 HG23 :: 0.639 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 116.362 Ave N Shift Values>> N :: 121.02(4.96) 1.R63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.2 H 0.2 Q 0.15 K 0.13 R 0.09 L 0.08 E 0.05 M 0.04 P 0.01 HN Overlap>> 1.F83 1.F83 C Shift Assignments>> C :: 171.749 CA :: 52.766 CB :: 28.803 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.803 HA :: 4.023 HB2 :: 1.496 HB3 :: 1.349 HD2 :: 2.883 HD3 :: 2.883 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 119.838 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.D64 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 N 0.33 P 0.11 M 0.05 Y 0.01 E 0.01 K 0.01 HN Overlap>> 1.D17 1.D17 C Shift Assignments>> C :: 170.559(S) CA :: 49.876 CB :: 36.044 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 :: 7.933 HA :: 4.320 HB2 :: 2.505 HB3 :: 2.367 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 117.281 Ave N Shift Values>> N :: 120.73(4.2) 1.L65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 N 0.3 C 0.13 L 0.1 F 0.03 Y 0.03 K 0.03 HN Overlap>> 1.I127 1.I127 C Shift Assignments>> C :: 172.072 CA :: 51.231 CB :: 40.763 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 :: 7.485 HA :: 4.047 HB2 :: 1.267 HB3 :: 1.267 HD11 :: 0.623 HD12 :: 0.623 HD13 :: 0.623 HD21 :: 0.623 HD22 :: 0.623 HD23 :: 0.623 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 :: 117.726 Ave N Shift Values>> N :: 121.98(4.07) 1.M66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.83 C 0.08 H 0.02 M 0.02 R 0.01 HN Overlap>> 1.R42 1.R42 1.K60 1.K60 C Shift Assignments>> C :: 171.286 CA :: 50.015 CB :: 30.918 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 7.759 HA :: 4.264 HB2 :: 1.657 HB3 :: 1.657 HG2 :: 2.331 HG3 :: 2.331 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 117.917 Ave N Shift Values>> N :: 120.1(3.88) 1.P67 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.K68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.21 H 0.19 M 0.16 R 0.15 Q 0.1 K 0.07 E 0.07 P 0.01 C Shift Assignments>> C :: 172.189 CA :: 53.050 CB :: 30.837 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 :: 8.048 HA :: 4.024 HB2 :: 1.397 HB3 :: 1.397 HG2 :: 1.175 HG3 :: 1.175 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 117.690 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.T69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.64 T 0.35 HN Overlap>> 1.T78 1.T78 C Shift Assignments>> C :: 170.370 CA :: 58.583 CB :: 66.719 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.509 HA :: 4.021 HB :: 3.816 HG21 :: 0.822 HG22 :: 0.822 HG23 :: 0.822 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 111.564 Ave N Shift Values>> N :: 115.7(5.05) 1.I70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.29 C 0.28 Y 0.12 M 0.07 F 0.05 I 0.05 K 0.05 Q 0.01 V 0.01 N 0.01 C Shift Assignments>> C :: 171.453 CA :: 57.551 CB :: 36.288 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.482 HA :: 3.946 HB :: 1.580 HG21 :: 0.619 HG22 :: 0.619 HG23 :: 0.619 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 :: 117.395 Ave N Shift Values>> N :: 121.6(4.72) 1.M71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 M 0.18 H 0.15 R 0.11 P 0.09 K 0.09 Q 0.05 E 0.04 C Shift Assignments>> C :: 171.513 CA :: 52.416 CB :: 31.596 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 7.868 HA :: 4.089 HB2 :: 1.646 HB3 :: 1.646 HG2 :: 2.234 HG3 :: 2.234 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 119.996 Ave N Shift Values>> N :: 120.1(3.88) 1.H72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.27 P 0.26 C 0.16 R 0.12 H 0.06 Q 0.05 K 0.03 HN Overlap>> 1.H34 1.H34 C Shift Assignments>> C :: 170.104 CA :: 51.986 CB :: 26.769 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 7.943 HA :: 4.398 HB2 :: 2.954 HB3 :: 2.808 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 :: 116.347 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.L73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 N 0.27 C 0.12 L 0.12 F 0.04 Y 0.03 K 0.03 C Shift Assignments>> C :: 172.608 CA :: 51.829 CB :: 40.763 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 :: 7.926 HA :: 4.105 HB2 :: 1.282 HB3 :: 1.282 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.518 Ave N Shift Values>> N :: 121.98(4.07) 1.M74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.24 M 0.17 P 0.14 H 0.14 R 0.1 K 0.08 Q 0.04 E 0.03 HN Overlap>> 1.M36 1.M36 C Shift Assignments>> C :: 171.209 CA :: 52.223 CB :: 31.650 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 7.997 HA :: 4.177 HB2 :: 1.659 HB3 :: 1.659 HG2 :: 2.273 HG3 :: 2.273 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 118.586 Ave N Shift Values>> N :: 120.1(3.88) 1.I75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 E 0.24 Y 0.17 F 0.09 I 0.05 M 0.05 N 0.03 K 0.02 D 0.01 C Shift Assignments>> C :: 171.112 CA :: 57.016 CB :: 36.939 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.481 HA :: 3.943 HB :: 1.515 HG21 :: 0.573 HG22 :: 0.573 HG23 :: 0.573 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 :: 116.212 Ave N Shift Values>> N :: 121.6(4.72) 1.N76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.55 C 0.31 D 0.03 Y 0.02 M 0.01 F 0.01 HN Overlap>> 1.N59 1.N59 C Shift Assignments>> C :: 171.268 CA :: 49.958 CB :: 37.183 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.966 HA :: 4.364 HB2 :: 2.338 HB3 :: 2.338 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 :: 119.937 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.N77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.54 C 0.32 D 0.03 Y 0.02 M 0.02 F 0.01 P 0.01 HN Overlap>> 1.E101 1.E19 1.E101 1.E19 1.N27 1.N97 1.N27 1.N97 C Shift Assignments>> C :: 171.524 CA :: 49.952 CB :: 37.102 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.874 HA :: 4.364 HB2 :: 2.339 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 :: 117.559 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.T78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.54 T 0.45 HN Overlap>> 1.T69 1.T69 C Shift Assignments>> C :: 170.531 CA :: 59.412 CB :: 66.719 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.568 HA :: 3.983 HB :: 3.774 HG21 :: 0.833 HG22 :: 0.833 HG23 :: 0.833 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 111.580 Ave N Shift Values>> N :: 115.7(5.05) 1.K79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.21 H 0.2 R 0.15 M 0.14 Q 0.1 E 0.07 K 0.07 P 0.01 C Shift Assignments>> C :: 172.022 CA :: 53.026 CB :: 30.674 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.716 HA :: 4.011 HB2 :: 1.371 HB3 :: 1.371 HG2 :: 1.111 HG3 :: 1.111 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 :: 119.132 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.29 C 0.17 R 0.15 H 0.1 Q 0.09 P 0.07 K 0.06 E 0.02 HN Overlap>> 1.M100 1.M100 C Shift Assignments>> C :: 171.527 CA :: 52.533 CB :: 27.186 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.685 HA :: 4.001 HB2 :: 1.614 HB3 :: 1.614 HG2 :: 1.992 HG3 :: 1.992 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 116.916 Ave N Shift Values>> N :: 120.68(3.68) 1.F81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.28 C 0.27 E 0.12 Y 0.1 M 0.06 F 0.05 D 0.04 K 0.01 I 0.01 HN Overlap>> 1.E19 1.E122 1.R7 1.E26 1.E19 1.E122 1.R7 1.E26 C Shift Assignments>> C :: 171.278 CA :: 54.189 CB :: 37.021 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 :: 7.715 HA :: 4.311 HB2 :: 2.746 HB3 :: 2.572 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 :: 117.597 Ave N Shift Values>> N :: 120.69(4.18) 1.I82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 E 0.25 Y 0.17 F 0.09 I 0.08 M 0.04 K 0.02 N 0.01 HN Overlap>> 1.E41 1.E41 C Shift Assignments>> C :: 171.382 CA :: 57.707 CB :: 36.880 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.666 HA :: 3.904 HB :: 1.554 HG21 :: 0.521 HG22 :: 0.521 HG23 :: 0.521 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 :: 116.723 Ave N Shift Values>> N :: 121.6(4.72) 1.F83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.29 C 0.26 Y 0.11 E 0.11 F 0.06 D 0.05 M 0.04 K 0.01 I 0.01 HN Overlap>> 1.R63 1.N59 1.R63 1.N59 C Shift Assignments>> C :: 171.632 CA :: 54.352 CB :: 37.346 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 :: 7.849 HA :: 4.377 HB2 :: 2.876 HB3 :: 2.668 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 119.851 Ave N Shift Values>> N :: 120.69(4.18) 1.S84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 C 0.01 C Shift Assignments>> C :: 170.721 CA :: 55.653 CB :: 61.675 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.864 HA :: 4.068 HB2 :: 3.397 HB3 :: 3.397 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 113.775 Ave N Shift Values>> N :: 116.3(3.95) 1.E85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.31 C 0.17 R 0.16 H 0.1 Q 0.09 K 0.07 P 0.04 E 0.02 HN Overlap>> 1.L50 1.L50 C Shift Assignments>> C :: 171.632 CA :: 52.766 CB :: 27.094 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.817 HA :: 4.011 HB2 :: 1.709 HB3 :: 1.593 HG2 :: 2.064 HG3 :: 2.064 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 :: 119.035 Ave N Shift Values>> N :: 120.68(3.68) 1.L86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.33 D 0.32 C 0.12 L 0.09 F 0.04 Y 0.04 K 0.02 HN Overlap>> 1.Y54 1.Y54 1.L87 1.L87 C Shift Assignments>> C :: 172.543 CA :: 51.916 CB :: 40.357 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 :: 7.697 HA :: 4.040 HB2 :: 1.293 HB3 :: 1.293 HD11 :: 0.639 HD12 :: 0.639 HD13 :: 0.639 HD21 :: 0.639 HD22 :: 0.639 HD23 :: 0.639 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.546 Ave N Shift Values>> N :: 121.98(4.07) 1.L87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.35 D 0.32 C 0.13 L 0.08 F 0.04 Y 0.03 K 0.01 HN Overlap>> 1.L86 1.L86 C Shift Assignments>> C :: 172.283 CA :: 51.595 CB :: 40.357 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 :: 7.612 HA :: 4.021 HB2 :: 1.280 HB3 :: 1.280 HD11 :: 0.630 HD12 :: 0.630 HD13 :: 0.630 HD21 :: 0.630 HD22 :: 0.630 HD23 :: 0.630 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.493 Ave N Shift Values>> N :: 121.98(4.07) 1.A88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.77 G 0.14 M 0.05 C 0.01 C Shift Assignments>> C :: 172.559 CA :: 48.737 CB :: 17.900 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.556 HA :: 3.995 HB1 :: 1.002 HB2 :: 1.002 HB3 :: 1.002 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.536 Ave N Shift Values>> N :: 123.23(3.7) 1.N89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.54 C 0.32 D 0.03 Y 0.02 M 0.02 F 0.01 P 0.01 E 0.01 C Shift Assignments>> C :: 172.630 CA :: 50.121 CB :: 37.021 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.791 HA :: 4.323 HB2 :: 2.364 HB3 :: 2.364 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 115.597 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.L90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.32 D 0.32 C 0.12 L 0.09 F 0.05 Y 0.04 K 0.02 C Shift Assignments>> C :: 172.348 CA :: 52.317 CB :: 40.275 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 :: 7.692 HA :: 3.880 HB2 :: 1.306 HB3 :: 1.132 HD11 :: 0.612 HD12 :: 0.612 HD13 :: 0.612 HD21 :: 0.612 HD22 :: 0.612 HD23 :: 0.612 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.811 Ave N Shift Values>> N :: 121.98(4.07) 1.Y91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 E 0.19 N 0.15 M 0.11 Y 0.08 K 0.05 F 0.03 Q 0.01 D 0.01 I 0.01 C Shift Assignments>> C :: 171.720 CA :: 54.596 CB :: 36.288 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 :: 7.645 HA :: 4.194 HB2 :: 2.783 HB3 :: 2.539 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 :: 115.316 Ave N Shift Values>> N :: 120.79(4.69) 1.S92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.97 C 0.02 C Shift Assignments>> C :: 170.461 CA :: 55.513 CB :: 61.593 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.618 HA :: 4.097 HB2 :: 3.502 HB3 :: 3.502 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 :: 112.823 Ave N Shift Values>> N :: 116.3(3.95) 1.C93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.27 K 0.2 R 0.19 C 0.13 Q 0.08 H 0.05 I 0.02 E 0.01 M 0.01 HN Overlap>> 1.K18 1.K18 C Shift Assignments>> C :: 170.399 CA :: 55.459 CB :: 25.955 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.786 HA :: 4.385 HB2 :: 2.604 HB3 :: 2.604 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 117.045 Ave N Shift Values>> N :: 119.95(4.79) 1.G94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.31 K 0.17 R 0.16 D 0.1 F 0.07 C 0.07 Y 0.04 I 0.02 G 0.01 N 0.01 C Shift Assignments>> C :: 169.224 CA :: 42.391 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.000 HA2 :: 3.596 HA3 :: 3.596 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.882 Ave N Shift Values>> N :: 109.91(4.29) 1.D95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 N 0.36 P 0.08 M 0.04 Y 0.01 E 0.01 G 0.01 D 0.01 C Shift Assignments>> C :: 170.982 CA :: 49.714 CB :: 36.207 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 :: 8.009 HA :: 4.381 HB2 :: 2.504 HB3 :: 2.371 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 116.973 Ave N Shift Values>> N :: 120.73(4.2) 1.Q96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.27 C 0.16 R 0.16 H 0.11 Q 0.11 K 0.09 E 0.02 P 0.02 M 0.01 HN Overlap>> 1.E102 1.E102 C Shift Assignments>> C :: 171.697 CA :: 52.918 CB :: 27.419 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 :: 7.737 HA :: 4.037 HB2 :: 1.749 HB3 :: 1.494 HG2 :: 2.051 HG3 :: 2.051 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 :: 117.416 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.N97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.52 C 0.34 D 0.02 M 0.02 Y 0.02 P 0.01 F 0.01 E 0.01 HN Overlap>> 1.N77 1.N27 1.N77 1.N27 C Shift Assignments>> C :: 172.152 CA :: 50.158 CB :: 36.858 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.905 HA :: 4.401 HB2 :: 2.364 HB3 :: 2.364 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 117.493 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.T98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.71 T 0.28 HN Overlap>> 1.S29 1.S29 1.S125 1.S125 C Shift Assignments>> C :: 171.285 CA :: 59.966 CB :: 66.231 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.696 HA :: 3.831 HB :: 3.383 HG21 :: 0.875 HG22 :: 0.875 HG23 :: 0.875 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 :: 113.085 Ave N Shift Values>> N :: 115.7(5.05) 1.L99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.35 D 0.28 C 0.13 L 0.07 Y 0.06 F 0.06 K 0.01 C Shift Assignments>> C :: 173.565 CA :: 52.925 CB :: 39.787 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 :: 7.708 HA :: 4.010 HB2 :: 1.400 HB3 :: 1.400 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 :: 120.165 Ave N Shift Values>> N :: 121.98(4.07) 1.M100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.24 H 0.17 M 0.14 P 0.12 R 0.12 Q 0.07 K 0.06 E 0.04 HN Overlap>> 1.E80 1.E80 C Shift Assignments>> C :: 171.510 CA :: 52.236 CB :: 30.982 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 7.709 HA :: 3.926 HB2 :: 1.657 HB3 :: 1.657 HG2 :: 2.255 HG3 :: 2.255 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 116.944 Ave N Shift Values>> N :: 120.1(3.88) 1.E101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.31 C 0.17 R 0.15 P 0.11 H 0.08 Q 0.07 K 0.05 E 0.01 HN Overlap>> 1.E19 1.E122 1.N77 1.N27 1.E19 1.E122 1.N77 1.N27 C Shift Assignments>> C :: 172.250 CA :: 52.399 CB :: 26.931 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.824 HA :: 4.076 HB2 :: 1.584 HB3 :: 1.584 HG2 :: 2.064 HG3 :: 2.064 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 117.658 Ave N Shift Values>> N :: 120.68(3.68) 1.E102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.33 R 0.18 C 0.16 Q 0.1 H 0.09 K 0.07 E 0.02 HN Overlap>> 1.Q96 1.Q96 C Shift Assignments>> C :: 172.551 CA :: 53.294 CB :: 26.931 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.764 HA :: 4.034 HB2 :: 1.729 HB3 :: 1.729 HG2 :: 2.064 HG3 :: 2.064 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 117.416 Ave N Shift Values>> N :: 120.68(3.68) 1.S103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 C 0.01 C Shift Assignments>> C :: 171.664 CA :: 55.898 CB :: 61.674 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.873 HA :: 4.079 HB2 :: 3.462 HB3 :: 3.592 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 114.185 Ave N Shift Values>> N :: 116.3(3.95) 1.A104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.81 M 0.16 C 0.01 C Shift Assignments>> C :: 174.471 CA :: 50.273 CB :: 16.923 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.039 HA :: 4.092 HB1 :: 1.021 HB2 :: 1.021 HB3 :: 1.021 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.943 Ave N Shift Values>> N :: 123.23(3.7) 1.E105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.33 R 0.2 C 0.14 Q 0.1 H 0.09 K 0.07 E 0.02 I 0.01 C Shift Assignments>> C :: 173.358 CA :: 54.164 CB :: 26.768 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.881 HA :: 3.937 HB2 :: 1.729 HB3 :: 1.729 HG2 :: 2.122 HG3 :: 2.122 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 116.035 Ave N Shift Values>> N :: 120.68(3.68) 1.Q106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.33 R 0.2 C 0.14 Q 0.1 H 0.09 K 0.07 E 0.02 I 0.01 HN Overlap>> 1.L120 1.L120 C Shift Assignments>> C :: 173.248 CA :: 54.138 CB :: 26.768 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 :: 7.898 HA :: 3.927 HB2 :: 1.514 HB3 :: 1.514 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 118.109 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.A107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.83 M 0.14 C 0.01 C Shift Assignments>> C :: 174.287 CA :: 50.121 CB :: 17.005 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.846 HA :: 3.876 HB1 :: 1.071 HB2 :: 1.071 HB3 :: 1.071 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.088 Ave N Shift Values>> N :: 123.23(3.7) 1.Q108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.31 R 0.2 C 0.13 Q 0.11 H 0.09 K 0.07 E 0.03 I 0.01 HN Overlap>> 1.M55 1.E13 1.S136 1.M55 1.E13 1.S136 C Shift Assignments>> C :: 172.120 CA :: 54.482 CB :: 26.802 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 :: 7.835 HA :: 4.120 HB2 :: 1.726 HB3 :: 1.726 HG2 :: 2.091 HG3 :: 2.091 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 :: 116.527 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.R109 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.R110 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.D111 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.E112 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.M113 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.L114 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.R115 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.M116 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.Y117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 E 0.25 M 0.11 Y 0.09 N 0.06 K 0.06 F 0.04 Q 0.02 I 0.01 HN Overlap>> 1.N49 1.N49 1.L124 1.N129 1.L124 1.N129 C Shift Assignments>> C :: 172.275 CA :: 55.724 CB :: 36.207 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 :: 7.757 HA :: 4.091 HB2 :: 2.703 HB3 :: 2.585 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 :: 117.223 Ave N Shift Values>> N :: 120.79(4.69) 1.H118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.35 C 0.17 R 0.16 H 0.08 Q 0.07 K 0.07 P 0.04 E 0.01 C Shift Assignments>> C :: 170.591 CA :: 52.757 CB :: 26.606 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 :: 8.069 HA :: 4.320 HB2 :: 2.926 HB3 :: 2.926 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 115.990 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.A119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.85 M 0.09 G 0.03 C 0.01 C Shift Assignments>> C :: 173.411 CA :: 49.307 CB :: 17.411 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.952 HA :: 3.988 HB1 :: 1.108 HB2 :: 1.108 HB3 :: 1.108 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.042 Ave N Shift Values>> N :: 123.23(3.7) 1.L120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.32 D 0.32 C 0.12 L 0.09 F 0.05 Y 0.04 K 0.02 HN Overlap>> 1.Q106 1.L6 1.F32 1.Q106 1.L6 1.F32 C Shift Assignments>> C :: 172.633 CA :: 52.317 CB :: 40.275 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 :: 7.873 HA :: 4.037 HB2 :: 1.319 HB3 :: 1.319 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.160 Ave N Shift Values>> N :: 121.98(4.07) 1.K121 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.E122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 C 0.17 R 0.15 P 0.09 H 0.09 Q 0.08 K 0.05 E 0.01 HN Overlap>> 1.E101 1.F81 1.E19 1.E101 1.F81 1.E19 1.R7 1.E26 1.R7 1.E26 C Shift Assignments>> C :: 171.274 CA :: 52.472 CB :: 27.013 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.730 HA :: 4.348 HB2 :: 1.681 HB3 :: 1.681 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 117.654 Ave N Shift Values>> N :: 120.68(3.68) 1.A123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.78 G 0.13 M 0.06 C 0.01 HN Overlap>> 1.A8 1.A8 C Shift Assignments>> C :: 172.693 CA :: 48.806 CB :: 17.655 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.723 HA :: 4.052 HB1 :: 1.028 HB2 :: 1.028 HB3 :: 1.028 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.766 Ave N Shift Values>> N :: 123.23(3.7) 1.L124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 N 0.29 C 0.12 L 0.11 F 0.04 Y 0.03 K 0.03 HN Overlap>> 1.N49 1.Y117 1.N49 1.Y117 C Shift Assignments>> C :: 172.616 CA :: 51.621 CB :: 40.712 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 :: 7.715 HA :: 4.034 HB2 :: 1.305 HB3 :: 1.305 HD11 :: 0.642 HD12 :: 0.642 HD13 :: 0.642 HD21 :: 0.642 HD22 :: 0.642 HD23 :: 0.642 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 :: 117.187 Ave N Shift Values>> N :: 121.98(4.07) 1.S125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.97 C 0.02 HN Overlap>> 1.T98 1.T98 C Shift Assignments>> C :: 170.383 CA :: 55.328 CB :: 61.756 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.649 HA :: 4.107 HB2 :: 3.406 HB3 :: 3.406 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 113.102 Ave N Shift Values>> N :: 116.3(3.95) 1.I126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.29 C 0.28 Y 0.12 M 0.07 I 0.06 F 0.05 K 0.05 Q 0.01 V 0.01 N 0.01 HN Overlap>> 1.V58 1.V58 C Shift Assignments>> C :: 171.378 CA :: 57.688 CB :: 36.288 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.491 HA :: 3.946 HB :: 1.580 HG21 :: 0.609 HG22 :: 0.609 HG23 :: 0.609 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 :: 117.033 Ave N Shift Values>> N :: 121.6(4.72) 1.I127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.29 C 0.28 Y 0.12 M 0.07 I 0.05 F 0.05 K 0.05 Q 0.01 V 0.01 N 0.01 HN Overlap>> 1.L65 1.L65 C Shift Assignments>> C :: 171.567 CA :: 57.611 CB :: 36.288 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.522 HA :: 3.976 HB :: 1.554 HG21 :: 0.626 HG22 :: 0.626 HG23 :: 0.626 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 :: 117.819 Ave N Shift Values>> N :: 121.6(4.72) 1.G128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.27 K 0.22 D 0.12 R 0.11 F 0.08 C 0.07 Y 0.05 I 0.02 N 0.01 C Shift Assignments>> C :: 168.954 CA :: 42.128 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.805 HA2 :: 3.506 HA3 :: 3.506 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.864 Ave N Shift Values>> N :: 109.91(4.29) 1.N129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.54 C 0.32 D 0.03 Y 0.02 M 0.01 F 0.01 HN Overlap>> 1.N49 1.M33 1.Y117 1.K18 1.N49 1.M33 1.Y117 1.K18 C Shift Assignments>> C :: 171.287 CA :: 49.795 CB :: 37.183 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.830 HA :: 4.392 HB2 :: 2.338 HB3 :: 2.338 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 117.197 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.I130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 E 0.28 Y 0.14 M 0.07 F 0.06 I 0.05 K 0.04 N 0.02 Q 0.01 HN Overlap>> 1.I57 1.V135 1.I57 1.V135 C Shift Assignments>> C :: 170.982 CA :: 57.222 CB :: 36.542 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.559 HA :: 3.941 HB :: 1.568 HG21 :: 0.615 HG22 :: 0.615 HG23 :: 0.615 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 :: 115.415 Ave N Shift Values>> N :: 121.6(4.72) 1.N131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.55 C 0.31 D 0.03 Y 0.02 M 0.01 F 0.01 HN Overlap>> 1.E45 1.E45 C Shift Assignments>> C :: 171.307 CA :: 49.958 CB :: 37.183 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.989 HA :: 4.442 HB2 :: 2.351 HB3 :: 2.351 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 :: 119.693 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.T132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.78 T 0.21 C Shift Assignments>> C :: 170.253 CA :: 58.257 CB :: 66.475 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.460 HA :: 4.059 HG21 :: 0.809 HG22 :: 0.809 HG23 :: 0.809 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 :: 110.623 Ave N Shift Values>> N :: 115.7(5.05) 1.T133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.68 T 0.31 C Shift Assignments>> C :: 170.344 CA :: 58.514 CB :: 66.650 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.545 HA :: 4.121 HB :: 3.839 HG21 :: 0.855 HG22 :: 0.855 HG23 :: 0.855 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 :: 112.267 Ave N Shift Values>> N :: 115.7(5.05) 1.T134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.69 T 0.3 HN Overlap>> 1.S31 1.S31 C Shift Assignments>> C :: 170.344 CA :: 58.488 CB :: 66.650 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.577 HA :: 4.089 HB :: 3.848 HG21 :: 0.846 HG22 :: 0.846 HG23 :: 0.846 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 :: 112.529 Ave N Shift Values>> N :: 115.7(5.05) 1.V135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.17 R 0.16 C 0.15 H 0.14 Q 0.12 K 0.08 M 0.07 I 0.03 V 0.03 HN Overlap>> 1.I130 1.I57 1.I130 1.I57 C Shift Assignments>> C :: 171.208 CA :: 57.976 CB :: 30.417 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.480 HA :: 4.036 HB :: 1.850 HG11 :: 0.626 HG12 :: 0.626 HG13 :: 0.626 HG21 :: 0.626 HG22 :: 0.626 HG23 :: 0.626 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 :: 115.475 Ave N Shift Values>> N :: 121.02(4.96) 1.S136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.97 C 0.02 HN Overlap>> 1.Q108 1.Q108 C Shift Assignments>> C :: 170.201 CA :: 55.315 CB :: 61.756 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.881 HA :: 4.147 HB2 :: 3.390 HB3 :: 3.390 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 :: 116.455 Ave N Shift Values>> N :: 116.3(3.95) 1.T137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.73 T 0.26 C Shift Assignments>> C :: 169.430 CA :: 56.630 CB :: 66.882 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.535 HA :: 4.245 HB :: 3.737 HG21 :: 0.875 HG22 :: 0.875 HG23 :: 0.875 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 114.919 Ave N Shift Values>> N :: 115.7(5.05) 1.P138 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable ########################################################################### Overall Results: #Consistent: 135 #Clerical: 0 #Suspicious: 3 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 124 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 14 Shift Relative Order (SRO) Results: #Consistent: 138 #Suspicious: 0 C Shift Results: #Consistent: 363 #Duplicate: 0 #Unknown: 0 #Suspicious: 3 #Anomalous: 0 H Shift Results: #Consistent: 667 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 124 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.D17 C = 169.305(S), Expected = 176.41, Std = 1.7700, ChiSquare = 5.9667e-05 1.D37 C = 169.852(S), Expected = 176.41, Std = 1.7700, ChiSquare = 2.1132e-04 1.D64 C = 170.559(S), Expected = 176.41, Std = 1.7700, ChiSquare = 9.4756e-04