Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> R 0.37 L 0.27 C 0.08 G 0.08 D 0.05 K 0.04 F 0.04 Y 0.02 I 0.01 C Shift Assignments>> CA :: 43.383 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> HA2 :: 3.828 HA3 :: 3.828 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) 1.A2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.74 M 0.2 C 0.02 C Shift Assignments>> C :: 177.879 CA :: 52.635 CB :: 19.394 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.596 HA :: 4.349 HB1 :: 1.380 HB2 :: 1.380 HB3 :: 1.380 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.821 Ave N Shift Values>> N :: 123.23(3.7) 1.M3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.38 C 0.33 Q 0.16 E 0.05 K 0.04 HN Overlap>> 1.R15 1.R15 C Shift Assignments>> C :: 176.843 CA :: 55.765 CB :: 33.060 CG :: 32.013 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.541 HA :: 4.476 HB2 :: 2.082 HB3 :: 2.047 HG2 :: 2.619 HG3 :: 2.560 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 :: 119.991 Ave N Shift Values>> N :: 120.1(3.88) 1.G4 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 :: 174.470 CA :: 45.362 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.454 HA2 :: 4.025 HA3 :: 4.025 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.343 Ave N Shift Values>> N :: 109.91(4.29) 1.S5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.711 CA :: 59.236 CB :: 63.612 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.383 HA :: 4.402 HB2 :: 3.974 HB3 :: 3.899 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 :: 116.127 Ave N Shift Values>> N :: 116.3(3.95) 1.G6 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 :: 174.681 CA :: 46.179 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.597 HA2 :: 3.957 HA3 :: 3.957 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.177 Ave N Shift Values>> N :: 109.91(4.29) 1.A7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.53 M 0.4 C 0.03 I 0.01 C Shift Assignments>> C :: 179.636 CA :: 54.298 CB :: 18.806 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.079 HA :: 4.187 HB1 :: 1.427 HB2 :: 1.427 HB3 :: 1.427 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.428 Ave N Shift Values>> N :: 123.23(3.7) 1.R8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.45 C 0.37 G 0.08 K 0.07 L 0.01 C Shift Assignments>> C :: 178.673 CA :: 58.427 CB :: 30.025 CG :: 27.456 CD :: 43.435 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 :: 8.321 HA :: 4.187 HB2 :: 1.928 HB3 :: 1.928 HG2 :: 1.739 HG3 :: 1.639 HD2 :: 3.237 HD3 :: 3.237 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 :: 119.327 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.Q9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 Q 0.24 K 0.23 E 0.14 R 0.05 I 0.02 M 0.02 C Shift Assignments>> C :: 177.548 CA :: 58.078 CB :: 28.577 CG :: 34.204 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 :: 8.366 HA :: 4.360 HB2 :: 2.178 HB3 :: 2.031 HG2 :: 2.487 HG3 :: 2.487 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 :: 120.447 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.L10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 C 0.38 R 0.07 HN Overlap>> 1.Q22 1.Q22 C Shift Assignments>> C :: 178.592 CA :: 57.965 CB :: 41.484 CG :: 27.289 CD1 :: 24.023 CD2 :: 25.256 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 :: 8.163 HA :: 4.046 HB2 :: 1.869 HB3 :: 1.578 HD11 :: 0.849 HD12 :: 0.849 HD13 :: 0.849 HD21 :: 0.884 HD22 :: 0.884 HD23 :: 0.884 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 :: 120.680 Ave N Shift Values>> N :: 121.98(4.07) 1.S11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.25 T 0.24 I 0.2 P 0.15 C 0.03 F 0.03 Y 0.02 S 0.01 C Shift Assignments>> C :: 176.701 CA :: 62.380 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.159 HA :: 4.154 HB2 :: 3.998 HB3 :: 3.998 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 :: 114.487 Ave N Shift Values>> N :: 116.3(3.95) 1.K12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.24 C 0.24 K 0.11 M 0.08 R 0.07 Q 0.06 E 0.05 H 0.04 P 0.04 I 0.02 C Shift Assignments>> C :: 177.886 CA :: 60.113 CB :: 32.708 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 :: 7.940 HA :: 4.036 HB2 :: 2.013 HB3 :: 2.013 HD2 :: 2.157 HD3 :: 2.157 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 :: 123.015 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.47 C 0.43 L 0.06 R 0.02 C Shift Assignments>> C :: 178.106 CA :: 58.840 CB :: 40.675 CD1 :: 24.750 CD2 :: 28.153 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 :: 4.364 HB2 :: 2.316 HB3 :: 1.548 HD11 :: 1.056 HD12 :: 1.056 HD13 :: 1.056 HD21 :: 0.788 HD22 :: 0.788 HD23 :: 0.788 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 :: 120.379 Ave N Shift Values>> N :: 121.98(4.07) 1.K14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.82 K 0.16 C Shift Assignments>> C :: 179.211 CA :: 61.362 CB :: 32.421 CG :: 27.025 CD :: 30.209 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 :: 8.469 HA :: 3.831 HB2 :: 1.945 HB3 :: 1.945 HD2 :: 1.644 HD3 :: 1.644 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 :: 119.005 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.R15 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 HN Overlap>> 1.M3 1.M3 C Shift Assignments>> C :: 179.635 CA :: 59.618 CB :: 30.085 CG :: 28.126 CD :: 43.213 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 :: 8.433 HA :: 4.044 HB2 :: 1.924 HB3 :: 1.924 HG2 :: 1.794 HG3 :: 1.615 HD2 :: 3.189 HD3 :: 3.189 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 :: 119.968 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.F16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.34 Y 0.22 F 0.21 C 0.18 E 0.02 C Shift Assignments>> C :: 175.955 CA :: 60.591 CB :: 38.748 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 9.093 HA :: 4.336 HB2 :: 3.615 HB3 :: 3.196 HD1 :: 7.133 HD2 :: 7.133 HE1 :: 7.133 HE2 :: 7.133 HZ :: 7.133 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 :: 123.257 Ave N Shift Values>> N :: 120.69(4.18) 1.L17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 L 0.31 I 0.04 A 0.01 HN Overlap>> 2.D9 2.D9 C Shift Assignments>> C :: 180.097 CA :: 58.347 CB :: 40.750 CD1 :: 25.245 CD2 :: 21.312 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 :: 8.476 HA :: 3.719 HB2 :: 2.000 HB3 :: 1.357 HD11 :: 0.638 HD12 :: 0.638 HD13 :: 0.638 HD21 :: 0.674 HD22 :: 0.674 HD23 :: 0.674 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 :: 117.141 Ave N Shift Values>> N :: 121.98(4.07) 1.T18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 C 0.01 C Shift Assignments>> C :: 176.566 CA :: 66.997 CB :: 68.707 CG2 :: 21.908 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 :: 8.381 HA :: 3.927 HB :: 4.203 HG21 :: 1.191 HG22 :: 1.191 HG23 :: 1.191 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 :: 115.537 Ave N Shift Values>> N :: 115.7(5.05) 1.T19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.49 T 0.23 I 0.15 S 0.06 P 0.03 C 0.01 HN Overlap>> 1.R36 1.R36 C Shift Assignments>> C :: 175.628 CA :: 67.856 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 :: 8.318 HA :: 4.133 HB :: 3.732 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 :: 121.043 Ave N Shift Values>> N :: 115.7(5.05) 1.L20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 C 0.39 R 0.02 G 0.02 C Shift Assignments>> C :: 178.701 CA :: 58.156 CB :: 42.191 CG :: 25.520 CD1 :: 25.532 CD2 :: 22.752 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 :: 7.973 HA :: 3.722 HB2 :: 1.760 HB3 :: 1.106 HG :: 1.387 HD11 :: 0.416 HD12 :: 0.416 HD13 :: 0.416 HD21 :: 0.553 HD22 :: 0.553 HD23 :: 0.553 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 :: 119.128 Ave N Shift Values>> N :: 121.98(4.07) 1.Q21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.34 C 0.33 I 0.11 K 0.07 M 0.06 Q 0.05 C Shift Assignments>> C :: 177.882 CA :: 59.093 CB :: 30.237 CG :: 35.831 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 :: 7.245 HA :: 3.943 HB2 :: 2.117 HB3 :: 2.117 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 :: 116.251 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.Q22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 K 0.24 Q 0.22 E 0.08 R 0.08 M 0.02 I 0.02 HN Overlap>> 1.L10 1.L10 C Shift Assignments>> C :: 178.169 CA :: 59.119 CB :: 28.471 CG :: 33.562 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 :: 8.178 HA :: 4.020 HB2 :: 2.042 HB3 :: 2.042 HG2 :: 2.171 HG3 :: 2.171 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 :: 120.766 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.F23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.13 F 0.13 Y 0.11 C 0.1 E 0.07 R 0.06 I 0.06 K 0.05 Q 0.04 H 0.04 V 0.04 T 0.04 M 0.03 L 0.02 C Shift Assignments>> C :: 179.670 CA :: 59.065 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 :: 8.756 HA :: 3.975 HB2 :: 3.259 HB3 :: 3.098 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 :: 117.829 Ave N Shift Values>> N :: 120.69(4.18) 1.G24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.48 C 0.27 P 0.11 A 0.06 N 0.02 L 0.02 C Shift Assignments>> C :: 173.927 CA :: 47.840 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.637 HA2 :: 3.803 HA3 :: 3.503 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.466 Ave N Shift Values>> N :: 109.91(4.29) 1.N25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.22 Y 0.19 N 0.17 F 0.14 D 0.11 E 0.05 L 0.03 I 0.02 M 0.01 HN Overlap>> 1.A95 1.A95 C Shift Assignments>> C :: 176.789 CA :: 55.546 CB :: 38.462 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 :: 8.224 HA :: 4.333 HB2 :: 2.926 HB3 :: 2.803 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 :: 119.899 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.D26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.17 F 0.16 L 0.15 Y 0.14 C 0.13 K 0.13 N 0.04 R 0.02 I 0.02 HN Overlap>> 1.H85 1.H85 C Shift Assignments>> C :: 177.640 CA :: 56.123 CB :: 40.752 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 :: 7.884 HA :: 4.415 HB2 :: 2.919 HB3 :: 2.733 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 :: 117.864 Ave N Shift Values>> N :: 120.73(4.2) 1.I27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.91 C 0.08 C Shift Assignments>> C :: 176.772 CA :: 65.167 CB :: 37.848 CG2 :: 17.757 CD1 :: 13.881 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 :: 7.480 HA :: 3.882 HB :: 2.081 HG12 :: 1.986 HG13 :: 1.127 HG21 :: 1.001 HG22 :: 1.001 HG23 :: 1.001 HD11 :: 0.924 HD12 :: 0.924 HD13 :: 0.924 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 :: 121.001 Ave N Shift Values>> N :: 121.6(4.72) 1.S28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 56.980 CB :: 63.116 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.784 HA :: 4.845 HB2 :: 4.290 HB3 :: 4.290 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 :: 110.976 Ave N Shift Values>> N :: 116.3(3.95) 1.P29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.87 C 0.1 C Shift Assignments>> C :: 179.619 CA :: 65.199 CB :: 31.798 CG :: 27.952 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 :: 4.500 HB2 :: 2.435 HB3 :: 1.959 HG2 :: 2.218 HG3 :: 2.092 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.E30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.33 C 0.32 E 0.27 K 0.04 C Shift Assignments>> C :: 179.702 CA :: 60.101 CB :: 29.155 CG :: 36.792 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 :: 8.448 HA :: 4.085 HB2 :: 2.078 HB3 :: 1.910 HG2 :: 2.296 HG3 :: 2.296 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 :: 117.567 Ave N Shift Values>> N :: 120.68(3.68) 1.I31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 I 0.41 M 0.01 C Shift Assignments>> C :: 178.684 CA :: 62.783 CB :: 34.766 CG1 :: 28.521 CG2 :: 18.392 CD1 :: 10.028 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 :: 8.007 HA :: 3.808 HB :: 2.207 HG12 :: 1.479 HG13 :: 1.406 HG21 :: 0.800 HG22 :: 0.800 HG23 :: 0.800 HD11 :: 0.773 HD12 :: 0.773 HD13 :: 0.773 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 122.790 Ave N Shift Values>> N :: 121.6(4.72) 1.G32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.38 C 0.26 P 0.19 A 0.08 N 0.03 L 0.01 D 0.01 C Shift Assignments>> C :: 176.803 CA :: 48.010 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.835 HA2 :: 4.289 HA3 :: 3.399 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.400 Ave N Shift Values>> N :: 109.91(4.29) 1.E33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 E 0.29 K 0.13 I 0.12 Q 0.09 M 0.02 C Shift Assignments>> C :: 178.675 CA :: 58.948 CB :: 29.065 CG :: 35.570 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 :: 8.167 HA :: 4.257 HB2 :: 2.112 HB3 :: 2.093 HG2 :: 2.330 HG3 :: 2.330 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 :: 122.565 Ave N Shift Values>> N :: 120.68(3.68) 1.R34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.42 C 0.36 G 0.09 K 0.09 L 0.02 HN Overlap>> 2.S18 2.S18 C Shift Assignments>> C :: 179.077 CA :: 59.018 CB :: 29.761 CG :: 26.587 CD :: 43.511 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 :: 7.844 HA :: 4.094 HB2 :: 2.000 HB3 :: 2.000 HG2 :: 1.687 HG3 :: 1.687 HD2 :: 3.165 HD3 :: 3.165 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 :: 121.566 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.V35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.96 C 0.03 C Shift Assignments>> C :: 176.933 CA :: 67.805 CB :: 31.349 CG1 :: 21.622 CG2 :: 23.584 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 :: 8.756 HA :: 3.366 HB :: 2.226 HG11 :: 0.800 HG12 :: 0.800 HG13 :: 0.800 HG21 :: 0.904 HG22 :: 0.904 HG23 :: 0.904 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 118.650 Ave N Shift Values>> N :: 121.02(4.96) 1.R36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.43 C 0.37 G 0.14 K 0.04 HN Overlap>> 1.T19 1.T19 C Shift Assignments>> C :: 178.701 CA :: 60.591 CB :: 30.060 CG :: 27.492 CD :: 43.536 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 :: 8.270 HA :: 3.928 HB2 :: 2.038 HB3 :: 2.038 HG2 :: 1.668 HG3 :: 1.668 HD2 :: 3.234 HD3 :: 3.234 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 :: 121.041 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.T37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 C 0.01 C Shift Assignments>> C :: 177.586 CA :: 66.818 CB :: 68.992 CG2 :: 21.949 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 :: 8.248 HA :: 3.900 HB :: 4.336 HG21 :: 1.262 HG22 :: 1.262 HG23 :: 1.262 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 :: 114.062 Ave N Shift Values>> N :: 115.7(5.05) 1.L38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 C 0.34 R 0.05 C Shift Assignments>> C :: 178.394 CA :: 58.086 CB :: 41.766 CG :: 26.595 CD1 :: 25.495 CD2 :: 23.653 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 :: 8.150 HA :: 4.220 HB2 :: 2.200 HB3 :: 1.427 HG :: 1.982 HD11 :: 0.525 HD12 :: 0.525 HD13 :: 0.525 HD21 :: 0.810 HD22 :: 0.810 HD23 :: 0.810 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 :: 124.334 Ave N Shift Values>> N :: 121.98(4.07) 1.V39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.96 C 0.03 C Shift Assignments>> C :: 177.617 CA :: 67.547 CB :: 31.660 CG1 :: 22.281 CG2 :: 23.325 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 :: 8.838 HA :: 3.471 HB :: 2.283 HG11 :: 0.901 HG12 :: 0.901 HG13 :: 0.901 HG21 :: 1.137 HG22 :: 1.137 HG23 :: 1.137 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 :: 120.021 Ave N Shift Values>> N :: 121.02(4.96) 1.L40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 C 0.37 R 0.04 C Shift Assignments>> C :: 178.988 CA :: 58.272 CB :: 41.398 CG :: 27.053 CD1 :: 24.906 CD2 :: 23.697 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 :: 8.324 HA :: 3.953 HB2 :: 1.765 HB3 :: 1.542 HG :: 1.740 HD11 :: 0.861 HD12 :: 0.861 HD13 :: 0.861 HD21 :: 0.839 HD22 :: 0.839 HD23 :: 0.839 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 :: 119.181 Ave N Shift Values>> N :: 121.98(4.07) 1.G41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 C 0.15 L 0.04 C Shift Assignments>> C :: 175.775 CA :: 46.722 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.950 HA2 :: 4.033 HA3 :: 3.546 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.044 Ave N Shift Values>> N :: 109.91(4.29) 1.L42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 C 0.38 R 0.02 G 0.01 C Shift Assignments>> C :: 177.076 CA :: 57.751 CB :: 41.882 CG :: 25.745 CD1 :: 23.586 CD2 :: 25.082 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 :: 8.193 HA :: 4.063 HB2 :: 1.945 HB3 :: 1.101 HG :: 1.182 HD11 :: 0.546 HD12 :: 0.546 HD13 :: 0.546 HD21 :: -0.045 HD22 :: -0.045 HD23 :: -0.045 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 :: 123.402 Ave N Shift Values>> N :: 121.98(4.07) 1.V43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.96 C 0.03 C Shift Assignments>> C :: 177.293 CA :: 66.904 CB :: 31.604 CG1 :: 21.958 CG2 :: 22.081 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 :: 8.358 HA :: 3.498 HB :: 2.068 HG11 :: 0.803 HG12 :: 0.803 HG13 :: 0.803 HG21 :: 0.906 HG22 :: 0.906 HG23 :: 0.906 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 :: 116.984 Ave N Shift Values>> N :: 121.02(4.96) 1.N44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.46 C 0.18 D 0.14 Y 0.08 F 0.06 L 0.02 E 0.02 M 0.01 C Shift Assignments>> C :: 174.791 CA :: 53.213 CB :: 38.332 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 :: 8.432 HA :: 4.679 HB2 :: 3.007 HB3 :: 2.764 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 :: 116.583 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.S45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.559 CA :: 60.264 CB :: 61.737 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.566 HA :: 4.312 HB2 :: 4.081 HB3 :: 4.081 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 :: 110.114 Ave N Shift Values>> N :: 116.3(3.95) 1.T46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.95 C 0.04 C Shift Assignments>> C :: 174.399 CA :: 63.559 CB :: 68.719 CG2 :: 22.088 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 :: 8.797 HA :: 4.273 HB :: 4.714 HG21 :: 1.154 HG22 :: 1.154 HG23 :: 1.154 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 :: 113.096 Ave N Shift Values>> N :: 115.7(5.05) 1.L47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.58 C 0.21 L 0.18 R 0.01 HN Overlap>> 1.L79 1.L79 C Shift Assignments>> C :: 176.572 CA :: 53.137 CB :: 45.813 CG :: 27.239 CD1 :: 26.945 CD2 :: 24.976 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 :: 7.290 HA :: 4.805 HB2 :: 1.566 HB3 :: 1.305 HG :: 2.286 HD11 :: 1.056 HD12 :: 1.056 HD13 :: 1.056 HD21 :: 0.919 HD22 :: 0.919 HD23 :: 0.919 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 :: 121.607 Ave N Shift Values>> N :: 121.98(4.07) 1.T48 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 :: 175.348 CA :: 60.759 CB :: 71.336 CG2 :: 22.041 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 :: 8.648 HA :: 4.433 HB :: 4.767 HG21 :: 1.337 HG22 :: 1.337 HG23 :: 1.337 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 :: 112.448 Ave N Shift Values>> N :: 115.7(5.05) 1.I49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.87 C 0.12 C Shift Assignments>> C :: 177.478 CA :: 66.346 CB :: 38.274 CG1 :: 31.511 CG2 :: 19.111 CD1 :: 14.047 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 :: 8.848 HA :: 3.499 HB :: 1.717 HG12 :: 1.790 HG13 :: 1.790 HG21 :: 1.013 HG22 :: 1.013 HG23 :: 1.013 HD11 :: 0.884 HD12 :: 0.884 HD13 :: 0.884 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 :: 121.537 Ave N Shift Values>> N :: 121.6(4.72) 1.E50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.67 C 0.25 E 0.06 C Shift Assignments>> C :: 179.757 CA :: 61.859 CB :: 28.500 CG :: 37.906 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.335 HA :: 3.899 HB2 :: 2.130 HB3 :: 1.960 HG2 :: 2.593 HG3 :: 2.146 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 :: 118.685 Ave N Shift Values>> N :: 120.68(3.68) 1.E51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 E 0.35 I 0.17 M 0.05 K 0.02 C Shift Assignments>> C :: 178.368 CA :: 59.094 CB :: 30.742 CG :: 37.044 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 :: 8.016 HA :: 4.134 HB2 :: 2.283 HB3 :: 1.881 HG2 :: 2.361 HG3 :: 2.260 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 :: 121.300 Ave N Shift Values>> N :: 120.68(3.68) 1.F52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.47 F 0.19 Y 0.16 C 0.15 C Shift Assignments>> C :: 175.252 CA :: 62.132 CB :: 39.629 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 :: 8.907 HA :: 3.939 HB2 :: 3.458 HB3 :: 2.994 HD1 :: 7.092 HD2 :: 7.092 HE1 :: 7.092 HE2 :: 7.092 HZ :: 7.092 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 :: 119.707 Ave N Shift Values>> N :: 120.69(4.18) 1.H53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.26 C 0.19 P 0.14 I 0.1 R 0.07 E 0.07 K 0.04 H 0.04 M 0.03 Q 0.02 C Shift Assignments>> C :: 176.804 CA :: 61.099 CB :: 31.324 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 :: 8.583 HA :: 3.633 HB2 :: 3.335 HB3 :: 3.027 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 :: 118.329 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.S54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.937 CA :: 61.671 CB :: 63.031 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.010 HA :: 4.138 HB2 :: 4.005 HB3 :: 4.005 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 :: 112.722 Ave N Shift Values>> N :: 116.3(3.95) 1.K55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 K 0.34 R 0.24 C Shift Assignments>> C :: 179.911 CA :: 59.134 CB :: 33.023 CG :: 26.559 CD :: 29.112 CE :: 41.799 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 :: 8.798 HA :: 4.002 HG2 :: 1.508 HG3 :: 1.508 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 121.102 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.38 C 0.34 L 0.24 R 0.02 C Shift Assignments>> C :: 180.211 CA :: 57.744 CB :: 41.103 CD1 :: 24.736 CD2 :: 26.932 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 :: 8.707 HA :: 3.629 HB2 :: 1.398 HB3 :: 0.838 HG :: 1.275 HD11 :: 0.724 HD12 :: 0.724 HD13 :: 0.724 HD21 :: 0.724 HD22 :: 0.724 HD23 :: 0.724 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 122.118 Ave N Shift Values>> N :: 121.98(4.07) 1.Q57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.2 C 0.17 E 0.13 K 0.11 Q 0.09 R 0.09 H 0.09 V 0.03 M 0.01 C Shift Assignments>> CA :: 59.873 CB :: 29.102 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 :: 7.787 HA :: 3.867 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 :: 120.503 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.E58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> E 0.36 C 0.33 I 0.13 K 0.07 M 0.05 Q 0.03 C Shift Assignments>> C :: 177.805 CA :: 58.829 CB :: 29.968 CG :: 36.206 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 :: 7.772 HA :: 3.942 HB2 :: 2.031 HB3 :: 2.031 HG2 :: 2.355 HG3 :: 2.161 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.A59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.58 M 0.34 C 0.03 L 0.01 C Shift Assignments>> C :: 178.195 CA :: 53.965 CB :: 19.367 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.579 HA :: 4.166 HB1 :: 1.328 HB2 :: 1.328 HB3 :: 1.328 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 117.222 Ave N Shift Values>> N :: 123.23(3.7) 1.T60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.25 T 0.21 V 0.19 P 0.07 C 0.05 F 0.05 Y 0.04 S 0.04 E 0.01 R 0.01 C Shift Assignments>> CA :: 61.604 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 :: 7.292 HG21 :: 1.327 HG22 :: 1.327 HG23 :: 1.327 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 :: 102.499 Ave N Shift Values>> N :: 115.7(5.05) 1.N61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> D 0.17 N 0.12 A 0.11 L 0.1 M 0.08 H 0.07 C 0.06 Q 0.05 R 0.05 K 0.04 Y 0.03 E 0.02 F 0.02 C Shift Assignments>> CA :: 54.296 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 :: 8.363 HA :: 4.452 HB2 :: 3.047 HB3 :: 2.725 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) 1.F62 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P63 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.L64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> L 0.56 C 0.22 K 0.12 G 0.05 A 0.01 R 0.01 C Shift Assignments>> C :: 177.318 CA :: 54.483 CB :: 42.835 CD1 :: 26.326 CD2 :: 23.822 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>> HA :: 4.559 HB2 :: 1.684 HB3 :: 1.551 HG :: 1.360 HD11 :: 0.817 HD12 :: 0.817 HD13 :: 0.817 HD21 :: 1.012 HD22 :: 1.012 HD23 :: 1.012 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) 1.R65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.18 Q 0.18 K 0.16 C 0.13 R 0.11 E 0.1 L 0.04 M 0.04 I 0.01 C Shift Assignments>> CA :: 54.930 CB :: 29.007 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 :: 8.181 HA :: 4.653 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 122.995 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.P66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.89 C 0.08 C Shift Assignments>> C :: 178.057 CA :: 65.634 CB :: 31.765 CG :: 27.682 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 :: 4.305 HB2 :: 2.435 HB3 :: 1.934 HG2 :: 2.121 HG3 :: 2.121 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.F67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.27 Y 0.26 C 0.18 I 0.1 L 0.05 D 0.05 K 0.03 N 0.01 E 0.01 C Shift Assignments>> C :: 173.919 CA :: 58.089 CB :: 39.813 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 :: 7.610 HA :: 4.495 HB2 :: 3.414 HB3 :: 2.825 HD1 :: 7.090 HD2 :: 7.090 HE1 :: 7.090 HE2 :: 7.090 HZ :: 7.090 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 :: 115.695 Ave N Shift Values>> N :: 120.69(4.18) 1.V68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.65 C 0.34 C Shift Assignments>> C :: 176.471 CA :: 67.255 CB :: 32.165 CG1 :: 22.345 CG2 :: 26.246 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 :: 7.998 HA :: 3.300 HB :: 2.296 HG11 :: 1.180 HG12 :: 1.180 HG13 :: 1.180 HG21 :: 1.361 HG22 :: 1.361 HG23 :: 1.361 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 :: 116.165 Ave N Shift Values>> N :: 121.02(4.96) 1.I69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.88 C 0.11 C Shift Assignments>> CA :: 67.328 CB :: 34.905 CG1 :: 29.543 CG2 :: 16.903 CD1 :: 11.825 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 :: 7.445 HA :: 3.787 HB :: 2.023 HG12 :: 1.338 HG13 :: 0.766 HG21 :: 0.833 HG22 :: 0.833 HG23 :: 0.833 HD11 :: 0.510 HD12 :: 0.510 HD13 :: 0.510 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 :: 115.514 Ave N Shift Values>> N :: 121.6(4.72) 1.P70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.83 C 0.12 G 0.03 C Shift Assignments>> C :: 179.553 CA :: 65.765 CB :: 30.555 CG :: 27.683 CD :: 48.837 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 :: 4.144 HB2 :: 2.263 HB3 :: 1.829 HG2 :: 2.202 HG3 :: 2.055 HD2 :: 3.379 HD3 :: 4.021 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.F71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.47 F 0.17 Y 0.16 C 0.16 C Shift Assignments>> C :: 178.488 CA :: 61.835 CB :: 38.936 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 :: 8.012 HA :: 3.808 HB2 :: 2.522 HB3 :: 2.045 HD1 :: 6.939 HD2 :: 6.939 HE1 :: 6.939 HE2 :: 6.939 HZ :: 6.939 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 :: 119.495 Ave N Shift Values>> N :: 120.69(4.18) 1.L72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.37 C 0.34 R 0.22 G 0.03 K 0.02 C Shift Assignments>> C :: 178.804 CA :: 58.102 CB :: 42.623 CG :: 27.234 CD1 :: 27.163 CD2 :: 24.027 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 :: 8.649 HA :: 3.802 HB2 :: 2.325 HB3 :: 1.170 HG :: 2.298 HD11 :: 1.066 HD12 :: 1.066 HD13 :: 1.066 HD21 :: 0.930 HD22 :: 0.930 HD23 :: 0.930 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 :: 121.002 Ave N Shift Values>> N :: 121.98(4.07) 1.K73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 R 0.3 K 0.29 G 0.01 C Shift Assignments>> C :: 178.645 CA :: 59.834 CB :: 32.383 CG :: 26.611 CD :: 29.401 CE :: 42.172 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 :: 8.722 HA :: 3.748 HB2 :: 1.807 HB3 :: 1.807 HG2 :: 1.595 HG3 :: 1.381 HD2 :: 1.617 HD3 :: 1.617 HE2 :: 2.819 HE3 :: 2.819 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 :: 119.152 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.A74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.58 M 0.35 C 0.03 L 0.01 C Shift Assignments>> C :: 179.051 CA :: 53.985 CB :: 19.199 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.448 HA :: 4.133 HB1 :: 1.307 HB2 :: 1.307 HB3 :: 1.307 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 115.694 Ave N Shift Values>> N :: 123.23(3.7) 1.N75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.21 D 0.2 K 0.18 C 0.1 F 0.09 Y 0.07 R 0.07 N 0.04 C Shift Assignments>> C :: 175.823 CA :: 55.160 CB :: 41.609 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 :: 7.328 HA :: 4.822 HB2 :: 2.066 HB3 :: 1.756 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 :: 111.481 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.L76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.51 C 0.37 L 0.04 K 0.04 R 0.01 C Shift Assignments>> CA :: 59.591 CB :: 39.878 CD2 :: 26.683 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 :: 9.334 HA :: 4.100 HB2 :: 2.031 HB3 :: 1.358 HG :: 1.461 HD21 :: 0.824 HD22 :: 0.824 HD23 :: 0.824 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 :: 123.756 Ave N Shift Values>> N :: 121.98(4.07) 1.P77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.58 C 0.41 C Shift Assignments>> C :: 179.066 CA :: 66.066 CB :: 31.247 CG :: 28.672 CD :: 51.217 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 :: 4.530 HB2 :: 2.409 HB3 :: 1.688 HG2 :: 2.073 HG3 :: 1.948 HD2 :: 3.623 HD3 :: 3.174 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.L78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 C 0.35 K 0.05 C Shift Assignments>> C :: 179.503 CA :: 57.687 CB :: 41.711 CD1 :: 25.316 CD2 :: 23.163 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 :: 7.049 HA :: 4.050 HB2 :: 2.028 HB3 :: 1.562 HG :: 1.763 HD11 :: 1.003 HD12 :: 1.003 HD13 :: 1.003 HD21 :: 1.003 HD22 :: 1.003 HD23 :: 1.003 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 115.007 Ave N Shift Values>> N :: 121.98(4.07) 1.L79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.31 K 0.31 C 0.29 R 0.04 G 0.02 HN Overlap>> 1.L47 1.L47 C Shift Assignments>> C :: 178.350 CA :: 57.600 CB :: 42.447 CD1 :: 24.608 CD2 :: 26.683 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 :: 7.324 HA :: 4.086 HB2 :: 2.011 HB3 :: 1.411 HD11 :: 0.911 HD12 :: 0.911 HD13 :: 0.911 HD21 :: 0.771 HD22 :: 0.771 HD23 :: 0.771 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 :: 121.540 Ave N Shift Values>> N :: 121.98(4.07) 1.Q80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 Q 0.19 K 0.18 E 0.1 I 0.07 R 0.06 P 0.02 C Shift Assignments>> C :: 178.333 CA :: 59.714 CB :: 27.779 CG :: 34.200 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 :: 8.368 HA :: 3.794 HB2 :: 2.219 HB3 :: 2.219 HG2 :: 2.494 HG3 :: 2.377 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 :: 117.258 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.R81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.37 G 0.13 K 0.04 HN Overlap>> 1.R88 1.R88 1.H101 1.Q92 1.H101 1.Q92 C Shift Assignments>> C :: 178.522 CA :: 59.578 CB :: 30.201 CG :: 27.503 CD :: 43.679 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 :: 8.008 HA :: 4.060 HB2 :: 1.853 HB3 :: 1.853 HG2 :: 1.610 HG3 :: 1.610 HD2 :: 3.179 HD3 :: 3.179 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 :: 118.214 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.E82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.34 C 0.34 I 0.21 K 0.04 M 0.03 Q 0.01 C Shift Assignments>> C :: 178.661 CA :: 59.480 CB :: 29.980 CG :: 36.632 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 :: 7.541 HA :: 4.138 HB2 :: 1.906 HB3 :: 1.906 HG2 :: 2.263 HG3 :: 2.168 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 :: 120.465 Ave N Shift Values>> N :: 120.68(3.68) 1.L83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 C 0.32 K 0.11 C Shift Assignments>> C :: 178.783 CA :: 57.639 CB :: 41.767 CD1 :: 25.598 CD2 :: 23.718 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 :: 8.185 HA :: 4.548 HB2 :: 1.746 HB3 :: 1.514 HD11 :: 0.768 HD12 :: 0.768 HD13 :: 0.768 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 :: 119.539 Ave N Shift Values>> N :: 121.98(4.07) 1.L84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.36 R 0.05 C Shift Assignments>> C :: 178.819 CA :: 57.574 CB :: 41.773 CG :: 27.307 CD1 :: 24.442 CD2 :: 23.912 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 :: 7.904 HA :: 4.023 HB2 :: 1.724 HB3 :: 1.605 HD11 :: 0.873 HD12 :: 0.873 HD13 :: 0.873 HD21 :: 0.830 HD22 :: 0.830 HD23 :: 0.830 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 :: 119.245 Ave N Shift Values>> N :: 121.98(4.07) 1.H85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.16 C 0.14 K 0.14 Q 0.14 H 0.13 R 0.12 I 0.07 M 0.03 V 0.01 L 0.01 HN Overlap>> 1.D26 1.D26 C Shift Assignments>> C :: 176.678 CA :: 58.303 CB :: 29.338 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 :: 7.933 HA :: 4.430 HB2 :: 3.395 HB3 :: 3.244 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 :: 117.790 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.C86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.43 P 0.33 C 0.1 R 0.05 K 0.01 E 0.01 Q 0.01 H 0.01 C Shift Assignments>> C :: 176.113 CA :: 61.988 CB :: 27.111 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.184 HA :: 4.020 HB2 :: 2.768 HB3 :: 2.768 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 :: 117.665 Ave N Shift Values>> N :: 119.95(4.79) 1.A87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.48 A 0.45 C 0.02 I 0.02 C Shift Assignments>> C :: 178.762 CA :: 54.545 CB :: 18.082 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.179 HA :: 3.847 HB1 :: 1.309 HB2 :: 1.309 HB3 :: 1.309 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.869 Ave N Shift Values>> N :: 123.23(3.7) 1.R88 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 0.05 M 0.05 V 0.03 HN Overlap>> 1.R81 1.H101 1.Q92 1.R81 1.H101 1.Q92 C Shift Assignments>> C :: 178.961 CA :: 58.339 CB :: 30.054 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 :: 7.959 HA :: 4.104 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 :: 118.132 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.L89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 C 0.32 R 0.06 C Shift Assignments>> C :: 177.910 CA :: 56.742 CB :: 41.934 CG :: 26.943 CD1 :: 24.957 CD2 :: 23.140 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 :: 7.801 HA :: 4.090 HB2 :: 1.630 HB3 :: 1.508 HD11 :: 0.777 HD12 :: 0.777 HD13 :: 0.777 HD21 :: 0.790 HD22 :: 0.790 HD23 :: 0.790 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 :: 120.777 Ave N Shift Values>> N :: 121.98(4.07) 1.A90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.73 M 0.23 C 0.02 C Shift Assignments>> C :: 177.101 CA :: 52.762 CB :: 18.887 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.671 HA :: 4.201 HB1 :: 1.378 HB2 :: 1.378 HB3 :: 1.378 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.280 Ave N Shift Values>> N :: 123.23(3.7) 1.K91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.48 C 0.47 M 0.03 C Shift Assignments>> C :: 176.281 CA :: 56.881 CB :: 31.104 CG :: 25.062 CD :: 29.129 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 :: 7.833 HA :: 4.040 HB2 :: 1.871 HB3 :: 1.871 HG2 :: 1.384 HG3 :: 1.384 HD2 :: 1.653 HD3 :: 1.653 HE2 :: 2.978 HE3 :: 2.978 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 :: 116.737 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Q92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.28 C 0.27 Q 0.21 E 0.12 K 0.08 HN Overlap>> 1.R88 1.R81 1.H101 1.R88 1.R81 1.H101 C Shift Assignments>> C :: 175.478 CA :: 55.344 CB :: 31.272 CG :: 34.043 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 :: 8.026 HA :: 4.441 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 :: 118.117 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.N93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.57 C 0.16 D 0.14 Y 0.04 F 0.03 L 0.02 C Shift Assignments>> CA :: 51.535 CB :: 38.572 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 :: 8.355 HA :: 4.917 HB2 :: 2.847 HB3 :: 2.847 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 :: 119.476 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.P94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.83 C 0.16 C Shift Assignments>> C :: 177.204 CA :: 65.425 CB :: 31.997 CG :: 27.713 CD :: 50.766 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 :: 4.156 HB2 :: 2.211 HB3 :: 1.979 HG2 :: 2.127 HG3 :: 2.127 HD2 :: 3.788 HD3 :: 3.788 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.A95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.49 M 0.44 C 0.02 I 0.01 HN Overlap>> 1.N25 1.N25 C Shift Assignments>> C :: 179.602 CA :: 54.465 CB :: 18.458 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.173 HA :: 4.142 HB1 :: 1.386 HB2 :: 1.386 HB3 :: 1.386 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.801 Ave N Shift Values>> N :: 123.23(3.7) 1.Q96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 Q 0.25 K 0.23 E 0.13 R 0.05 M 0.05 I 0.01 C Shift Assignments>> C :: 177.036 CA :: 57.435 CB :: 29.117 CG :: 33.875 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 :: 7.839 HA :: 4.125 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 :: 118.167 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.Y97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.32 Y 0.22 F 0.21 C 0.18 E 0.02 C Shift Assignments>> CA :: 60.474 CB :: 38.778 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 :: 8.081 HA :: 4.246 HB2 :: 2.990 HB3 :: 2.885 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 :: 120.080 Ave N Shift Values>> N :: 120.79(4.69) 1.L98 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable C Shift Assignments>> C :: 177.578 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 :: 8.196 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) 1.A99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.65 M 0.3 C 0.02 C Shift Assignments>> C :: 178.529 CA :: 53.428 CB :: 18.774 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.679 HA :: 4.176 HB1 :: 1.386 HB2 :: 1.386 HB3 :: 1.386 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.883 Ave N Shift Values>> N :: 123.23(3.7) 1.Q100 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 0.13 M 0.07 R 0.04 C Shift Assignments>> C :: 175.963 CA :: 56.382 CB :: 29.293 CG :: 33.954 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 :: 7.808 HA :: 4.170 HG2 :: 2.327 HG3 :: 2.213 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 :: 116.585 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.H101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.18 H 0.17 K 0.16 C 0.13 E 0.12 R 0.11 M 0.04 L 0.03 I 0.01 HN Overlap>> 1.R88 1.R81 1.R88 1.R81 1.Q92 1.Q92 C Shift Assignments>> C :: 174.584 CA :: 55.684 CB :: 29.102 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 :: 8.055 HA :: 4.609 HB2 :: 3.256 HB3 :: 2.759 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 :: 118.150 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.E102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.35 C 0.34 K 0.09 I 0.09 M 0.06 Q 0.05 C Shift Assignments>> C :: 176.724 CA :: 57.818 CB :: 29.853 CG :: 36.173 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 :: 8.215 HA :: 4.118 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 :: 121.755 Ave N Shift Values>> N :: 120.68(3.68) 1.Q103 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 0.11 M 0.05 R 0.05 C Shift Assignments>> C :: 175.787 CA :: 56.078 CB :: 29.078 CG :: 33.820 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 :: 8.376 HA :: 4.234 HB2 :: 1.998 HB3 :: 1.840 HG2 :: 2.276 HG3 :: 2.276 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 :: 118.571 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 2.I1 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 :: 176.346 CA :: 61.618 CB :: 38.709 CG1 :: 27.355 CG2 :: 17.566 CD1 :: 13.250 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 :: 8.098 HA :: 4.105 HB :: 1.813 HG12 :: 1.424 HG13 :: 1.106 HG21 :: 0.836 HG22 :: 0.836 HG23 :: 0.836 HD11 :: 0.782 HD12 :: 0.782 HD13 :: 0.782 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 122.044 Ave N Shift Values>> N :: 121.6(4.72) 2.G2 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 :: 174.045 CA :: 45.242 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.261 HA2 :: 3.838 HA3 :: 3.838 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.557 Ave N Shift Values>> N :: 109.91(4.29) 2.T3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.93 C 0.06 C Shift Assignments>> C :: 174.271 CA :: 62.183 CB :: 69.586 CG2 :: 21.745 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 :: 7.902 HA :: 3.990 HB :: 3.997 HG21 :: 1.016 HG22 :: 1.016 HG23 :: 1.016 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 :: 113.204 Ave N Shift Values>> N :: 115.7(5.05) 2.D4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.27 L 0.18 K 0.12 C 0.11 N 0.1 F 0.08 Y 0.07 R 0.03 C Shift Assignments>> C :: 176.857 CA :: 54.312 CB :: 41.094 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 :: 7.788 HA :: 4.363 HB2 :: 2.635 HB3 :: 2.482 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 122.502 Ave N Shift Values>> N :: 120.73(4.2) 2.K5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.49 C 0.47 M 0.03 C Shift Assignments>> C :: 178.674 CA :: 58.199 CB :: 32.215 CG :: 24.934 CD :: 28.940 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 :: 8.337 HA :: 4.125 HB2 :: 1.853 HB3 :: 1.853 HG2 :: 1.425 HG3 :: 1.425 HD2 :: 1.622 HD3 :: 1.622 HE2 :: 2.958 HE3 :: 2.958 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 :: 123.095 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 2.E6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.35 I 0.14 K 0.06 M 0.04 Q 0.02 C Shift Assignments>> C :: 177.093 CA :: 58.606 CB :: 29.971 CG :: 36.545 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 :: 8.357 HA :: 4.153 HB2 :: 2.023 HB3 :: 2.023 HG2 :: 2.281 HG3 :: 2.218 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 :: 120.136 Ave N Shift Values>> N :: 120.68(3.68) 2.L7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.24 R 0.12 G 0.02 A 0.01 C Shift Assignments>> C :: 178.427 CA :: 54.307 CB :: 42.348 CG :: 26.908 CD1 :: 26.798 CD2 :: 23.777 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 :: 8.030 HA :: 4.456 HB2 :: 2.110 HB3 :: 1.861 HD11 :: 1.059 HD12 :: 1.059 HD13 :: 1.059 HD21 :: 0.875 HD22 :: 0.875 HD23 :: 0.875 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 :: 113.640 Ave N Shift Values>> N :: 121.98(4.07) 2.S8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.699 CA :: 61.667 CB :: 63.412 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.899 HA :: 4.498 HB2 :: 4.104 HB3 :: 4.104 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 :: 116.332 Ave N Shift Values>> N :: 116.3(3.95) 2.D9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.37 D 0.19 C 0.16 Y 0.1 F 0.08 L 0.04 E 0.01 HN Overlap>> 1.L17 1.L17 C Shift Assignments>> C :: 175.614 CA :: 53.780 CB :: 38.831 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 :: 8.446 HA :: 4.391 HB2 :: 2.546 HB3 :: 2.449 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 :: 117.090 Ave N Shift Values>> N :: 120.73(4.2) 2.L10 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.5 G 0.24 C 0.22 A 0.01 C Shift Assignments>> C :: 175.805 CA :: 55.429 CB :: 44.171 CD1 :: 25.478 CD2 :: 23.291 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 :: 7.754 HA :: 4.327 HB2 :: 1.515 HB3 :: 0.890 HG :: 1.293 HD11 :: -0.362(S) HD12 :: -0.362(S) HD13 :: -0.362(S) HD21 :: -0.025 HD22 :: -0.025 HD23 :: -0.025 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 :: 119.159 Ave N Shift Values>> N :: 121.98(4.07) 2.L11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.52 L 0.27 C 0.18 C Shift Assignments>> CA :: 53.159 CB :: 45.690 CG :: 27.315 CD1 :: 25.600 CD2 :: 24.485 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 :: 7.628 HA :: 4.688 HB2 :: 1.107 HB3 :: 0.852 HG :: 1.415 HD11 :: 0.714 HD12 :: 0.714 HD13 :: 0.714 HD21 :: 0.616 HD22 :: 0.616 HD23 :: 0.616 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 :: 118.594 Ave N Shift Values>> N :: 121.98(4.07) 2.D12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> N 0.39 D 0.29 C 0.13 L 0.07 F 0.04 Y 0.04 K 0.01 C Shift Assignments>> C :: 176.167 CA :: 51.889 CB :: 39.948 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>> HA :: 4.771 HB2 :: 2.942 HB3 :: 2.209 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) 2.F13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.35 Y 0.21 F 0.2 C 0.18 E 0.02 C Shift Assignments>> C :: 177.744 CA :: 60.705 CB :: 38.721 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 :: 8.322 HA :: 4.161 HB2 :: 3.269 HB3 :: 2.987 HD1 :: 7.262 HD2 :: 7.262 HE1 :: 7.262 HE2 :: 7.262 HZ :: 7.262 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 :: 123.385 Ave N Shift Values>> N :: 120.69(4.18) 2.S14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.154 CA :: 61.097 CB :: 62.984 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.395 HA :: 4.303 HB2 :: 3.979 HB3 :: 3.979 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 :: 115.357 Ave N Shift Values>> N :: 116.3(3.95) 2.A15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.77 M 0.19 C 0.02 C Shift Assignments>> C :: 177.974 CA :: 52.359 CB :: 19.192 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.453 HA :: 4.340 HB1 :: 1.337 HB2 :: 1.337 HB3 :: 1.337 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.732 Ave N Shift Values>> N :: 123.23(3.7) 2.M16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.33 C 0.33 Q 0.17 E 0.1 K 0.04 C Shift Assignments>> C :: 175.604 CA :: 56.753 CB :: 33.646 CG :: 32.046 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 :: 7.451 HA :: 4.101 HB2 :: 2.107 HB3 :: 1.911 HE1 :: 1.540 HE2 :: 1.540 HE3 :: 1.540 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 :: 116.930 Ave N Shift Values>> N :: 120.1(3.88) 2.F17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.25 F 0.23 C 0.19 D 0.09 L 0.06 I 0.06 N 0.04 E 0.01 K 0.01 C Shift Assignments>> C :: 174.825 CA :: 57.057 CB :: 39.473 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 :: 7.793 HA :: 4.790 HB2 :: 3.293 HB3 :: 2.907 HD1 :: 7.213 HD2 :: 7.213 HE1 :: 7.213 HE2 :: 7.213 HZ :: 7.213 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 :: 117.773 Ave N Shift Values>> N :: 120.69(4.18) 2.S18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.95 T 0.04 HN Overlap>> 1.R34 1.R34 C Shift Assignments>> CA :: 60.714 CB :: 65.042 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.750 HA :: 4.283 HB2 :: 3.858 HB3 :: 3.858 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 :: 121.597 Ave N Shift Values>> N :: 116.3(3.95) ########################################################################### Overall Results: #Consistent: 120 #Clerical: 0 #Suspicious: 1 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 118 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 3 Shift Relative Order (SRO) Results: #Consistent: 121 #Suspicious: 0 C Shift Results: #Consistent: 456 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 757 #Duplicate: 0 #Unknown: 0 #Suspicious: 3 #Anomalous: 0 N Shift Results: #Consistent: 108 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 2.L10 HD11 = -0.362(S), Expected = 0.77, Std = 0.2700, ChiSquare = 2.7578e-05 2.L10 HD12 = -0.362(S), Expected = 0.77, Std = 0.2700, ChiSquare = 2.7578e-05 2.L10 HD13 = -0.362(S), Expected = 0.77, Std = 0.2700, ChiSquare = 2.7578e-05