Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 175.094 CA :: 58.708 CB :: 63.725 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) 1.G4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 L 0.08 C 0.08 R 0.02 C Shift Assignments>> C :: 174.341 CA :: 45.443 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.490 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.021 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 :: 174.814 CA :: 58.353 CB :: 63.848 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.287 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 :: 115.904 Ave N Shift Values>> N :: 116.3(3.95) 1.S6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.09 K 0.09 R 0.09 H 0.09 C 0.08 M 0.08 E 0.07 W 0.07 L 0.06 Y 0.06 F 0.05 S 0.03 D 0.03 C Shift Assignments>> CA :: 56.712 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.477 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 :: 122.700 Ave N Shift Values>> N :: 116.3(3.95) 1.G7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.79 L 0.08 C 0.08 R 0.02 C Shift Assignments>> CA :: 45.444 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> HA2 :: 4.023 HA3 :: 4.023 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) 1.E8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.36 M 0.11 K 0.06 I 0.04 Q 0.03 HN Overlap>> 1.D55 1.D55 C Shift Assignments>> CA :: 56.555 CB :: 30.429 CG :: 36.445 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 :: 4.317 HB2 :: 1.980 HB3 :: 1.980 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 :: 120.524 Ave N Shift Values>> N :: 120.68(3.68) 1.E9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.35 M 0.09 K 0.07 I 0.05 Q 0.04 HN Overlap>> 1.V97 1.V97 1.W40 1.W40 C Shift Assignments>> CA :: 56.763 CB :: 30.257 CG :: 36.311 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 :: 8.632 HA :: 4.328 HB2 :: 2.125 HB3 :: 2.007 HG2 :: 2.335 HG3 :: 2.335 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 :: 121.433 Ave N Shift Values>> N :: 120.68(3.68) 1.D10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.27 L 0.19 K 0.12 C 0.11 N 0.09 F 0.08 Y 0.07 R 0.03 C Shift Assignments>> CA :: 54.349 CB :: 41.112 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 :: 8.434 HA :: 4.673 HB2 :: 2.746 HB3 :: 2.689 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 121.649 Ave N Shift Values>> N :: 120.73(4.2) 1.W11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 W 0.37 H 0.03 C Shift Assignments>> CA :: 54.753 CB :: 30.583 CD1 :: 125.076 CE3 :: 120.442 CZ2 :: 115.786 CZ3 :: 122.456 CH2 :: 125.729 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 8.428 HA :: 5.148 HB2 :: 3.379 HB3 :: 3.123 HD1 :: 7.726 HE1 :: 10.492 HE3 :: 7.518 HZ2 :: 7.407 HZ3 :: 7.079 HH2 :: 6.932 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 123.718 NE1 :: 130.050 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.V12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.84 C 0.15 C Shift Assignments>> CA :: 63.791 CB :: 32.805 CG1 :: 20.629 CG2 :: 20.629 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 :: 8.681 HA :: 4.042 HB :: 2.223 HG11 :: 0.973 HG12 :: 0.973 HG13 :: 0.973 HG21 :: 0.973 HG22 :: 0.973 HG23 :: 0.973 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 124.653 Ave N Shift Values>> N :: 121.02(4.96) 1.L13 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.89 L 0.09 C Shift Assignments>> CA :: 58.253 CB :: 37.632 CG :: 26.293 CD1 :: 24.288 CD2 :: 26.155 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 :: 5.467(S) HA :: 4.016 HB2 :: 0.117(S) HB3 :: -0.562(S) HG :: 0.150(S) HD11 :: 0.168 HD12 :: 0.168 HD13 :: 0.168 HD21 :: -0.518(S) HD22 :: -0.518(S) HD23 :: -0.518(S) Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.718 Ave N Shift Values>> N :: 121.98(4.07) 1.P14 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.44 G 0.27 C 0.27 C Shift Assignments>> C :: 179.732 CA :: 66.813 CB :: 30.653 CG :: 28.574 CD :: 48.448 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 :: 3.954 HB2 :: 2.470 HB3 :: 1.929 HG2 :: 2.182 HG3 :: 1.668 HD2 :: 3.203 HD3 :: 2.259(S) 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.S15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.399 CA :: 61.284 CB :: 62.553 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.755 HA :: 4.285 HB2 :: 3.948 HB3 :: 3.948 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 :: 112.313 Ave N Shift Values>> N :: 116.3(3.95) 1.E16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 E 0.33 I 0.22 K 0.04 M 0.03 Q 0.01 C Shift Assignments>> C :: 179.562 CA :: 59.866 CB :: 30.053 CG :: 36.476 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 :: 8.073 HA :: 4.005 HB2 :: 2.229 HB3 :: 2.025 HG2 :: 2.335 HG3 :: 2.011 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 125.688 Ave N Shift Values>> N :: 120.68(3.68) 1.V17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.85 C 0.14 C Shift Assignments>> C :: 176.879 CA :: 67.104 CB :: 31.256 CG1 :: 23.036 CG2 :: 24.743 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 :: 8.616 HA :: 3.461 HB :: 2.244 HG11 :: 1.085 HG12 :: 1.085 HG13 :: 1.085 HG21 :: 0.925 HG22 :: 0.925 HG23 :: 0.925 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 :: 118.769 Ave N Shift Values>> N :: 121.02(4.96) 1.E18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 I 0.3 E 0.3 K 0.03 M 0.01 C Shift Assignments>> C :: 180.254 CA :: 59.985 CB :: 29.564 CG :: 36.835 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 :: 7.748 HA :: 4.249 HB2 :: 2.245 HB3 :: 2.146 HG2 :: 2.523 HG3 :: 2.279 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 :: 119.897 Ave N Shift Values>> N :: 120.68(3.68) 1.V19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.95 C 0.04 C Shift Assignments>> C :: 179.975 CA :: 66.601 CB :: 31.338 CG1 :: 22.656 CG2 :: 21.248 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 :: 7.585 HA :: 3.710 HB :: 2.309 HG11 :: 1.078 HG12 :: 1.078 HG13 :: 1.078 HG21 :: 0.847 HG22 :: 0.847 HG23 :: 0.847 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 :: 120.207 Ave N Shift Values>> N :: 121.02(4.96) 1.L20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.48 C 0.37 R 0.11 G 0.02 HN Overlap>> 1.Q57 1.Q57 C Shift Assignments>> C :: 179.744 CA :: 58.484 CB :: 42.414 CG :: 26.258 CD1 :: 26.534 CD2 :: 23.030 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 :: 8.357 HA :: 4.073 HB2 :: 2.208 HB3 :: 1.576 HG :: 2.237 HD11 :: 0.898 HD12 :: 0.898 HD13 :: 0.898 HD21 :: 1.069 HD22 :: 1.069 HD23 :: 1.069 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 :: 120.686 Ave N Shift Values>> N :: 121.98(4.07) 1.E21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.38 C 0.36 E 0.23 M 0.01 K 0.01 C Shift Assignments>> C :: 179.198 CA :: 60.065 CB :: 30.051 CG :: 37.815 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 :: 9.085 HA :: 4.009 HB2 :: 2.285 HB3 :: 2.030 HG2 :: 2.566 HG3 :: 2.229 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 :: 119.499 Ave N Shift Values>> N :: 120.68(3.68) 1.S22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.184 CA :: 60.694 CB :: 63.791 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.551 HA :: 4.368 HB2 :: 4.041 HB3 :: 4.041 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 :: 114.279 Ave N Shift Values>> N :: 116.3(3.95) 1.I23 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 :: 177.316 CA :: 63.798 CB :: 40.147 CG1 :: 27.793 CG2 :: 16.089 CD1 :: 14.188 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 :: 7.419 HA :: 3.809 HB :: 1.349 HG12 :: 1.581 HG13 :: 0.783 HG21 :: 0.153 HG22 :: 0.153 HG23 :: 0.153 HD11 :: 0.538 HD12 :: 0.538 HD13 :: 0.538 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 :: 121.880 Ave N Shift Values>> N :: 121.6(4.72) 1.Y24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.62 C 0.37 C Shift Assignments>> C :: 176.150 CA :: 59.003 CB :: 40.154 CD1 :: 132.747 CD2 :: 132.747 CE1 :: 117.683 CE2 :: 117.683 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 :: 8.272 HA :: 4.508 HB2 :: 3.084 HB3 :: 2.605 HD1 :: 7.168 HD2 :: 7.168 HE1 :: 6.642 HE2 :: 6.642 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 116.744 Ave N Shift Values>> N :: 120.79(4.69) 1.L25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.5 C 0.47 A 0.02 C Shift Assignments>> C :: 177.449 CA :: 56.030 CB :: 39.645 CG :: 27.065 CD1 :: 25.778 CD2 :: 23.032 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 :: 7.972 HA :: 4.194 HB2 :: 2.101 HB3 :: 1.595 HG :: 1.527 HD11 :: 0.962 HD12 :: 0.962 HD13 :: 0.962 HD21 :: 0.950 HD22 :: 0.950 HD23 :: 0.950 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 :: 119.708 Ave N Shift Values>> N :: 121.98(4.07) 1.D26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.2 F 0.16 Y 0.16 C 0.15 L 0.12 N 0.08 K 0.05 I 0.02 C Shift Assignments>> C :: 176.781 CA :: 55.762 CB :: 40.154 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 :: 8.292 HA :: 4.544 HB2 :: 2.797 HB3 :: 2.797 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 118.790 Ave N Shift Values>> N :: 120.73(4.2) 1.E27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 E 0.37 I 0.14 M 0.04 K 0.03 C Shift Assignments>> C :: 175.992 CA :: 57.728 CB :: 30.141 CG :: 37.339 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 :: 7.910 HA :: 4.272 HB2 :: 2.369 HB3 :: 2.118 HG2 :: 2.540 HG3 :: 2.319 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 :: 116.426 Ave N Shift Values>> N :: 120.68(3.68) 1.L28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.54 C 0.24 L 0.14 R 0.06 C Shift Assignments>> C :: 174.936 CA :: 54.238 CB :: 45.142 CG :: 27.081 CD1 :: 25.551 CD2 :: 27.564 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 :: 7.549 HA :: 4.627 HB2 :: 2.021 HB3 :: 1.244 HG :: 1.414 HD11 :: 0.707 HD12 :: 0.707 HD13 :: 0.707 HD21 :: 0.796 HD22 :: 0.796 HD23 :: 0.796 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 :: 120.968 Ave N Shift Values>> N :: 121.98(4.07) 1.Q29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 Q 0.25 M 0.22 K 0.14 E 0.1 R 0.01 C Shift Assignments>> C :: 173.989 CA :: 54.472 CB :: 30.508 CG :: 33.856 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 :: 8.734 HA :: 4.598 HB2 :: 1.668 HB3 :: 1.258 HG2 :: 2.168 HG3 :: 2.083 HE21 :: 7.084 HE22 :: 6.693 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 :: 126.005 NE2 :: 112.312 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.V30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.55 C 0.43 C Shift Assignments>> C :: 175.361 CA :: 60.737 CB :: 34.880 CG1 :: 21.470 CG2 :: 21.494 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 :: 8.482 HA :: 4.842 HB :: 1.940 HG11 :: 0.851 HG12 :: 0.851 HG13 :: 0.851 HG21 :: 0.908 HG22 :: 0.908 HG23 :: 0.908 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 122.551 Ave N Shift Values>> N :: 121.02(4.96) 1.I31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.61 C 0.37 C Shift Assignments>> C :: 175.847 CA :: 60.294 CB :: 37.857 CG1 :: 27.032 CG2 :: 17.485 CD1 :: 12.715 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.659 HA :: 4.199 HB :: 2.005 HG12 :: 1.498 HG13 :: 1.155 HG21 :: 0.814 HG22 :: 0.814 HG23 :: 0.814 HD11 :: 0.848 HD12 :: 0.848 HD13 :: 0.848 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 130.469 Ave N Shift Values>> N :: 121.6(4.72) 1.K32 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.36 C 0.35 R 0.24 M 0.02 C Shift Assignments>> C :: 176.794 CA :: 56.590 CB :: 32.700 CG :: 25.651 CD :: 29.477 CE :: 42.049 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 :: 8.416 HA :: 2.850 HB2 :: 1.097 HB3 :: 0.662(S) HG2 :: 0.804 HG3 :: -0.009(S) HD2 :: 1.297 HD3 :: 1.297 HE2 :: 2.744 HE3 :: 2.744 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 :: 127.138 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.G33 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> G 0.54 L 0.17 R 0.12 C 0.1 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> CA :: 44.680 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 5.224(S) HA2 :: 3.985 HA3 :: 3.547 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) 1.N34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.53 C 0.18 D 0.12 Y 0.06 F 0.04 E 0.01 L 0.01 M 0.01 C Shift Assignments>> CA :: 52.516 CB :: 38.136 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>> HA :: 4.777 HB2 :: 2.818 HB3 :: 2.749 HD21 :: 7.605 HD22 :: 6.928 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> ND2 :: 112.612 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.G35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.08 L 0.07 R 0.01 C Shift Assignments>> CA :: 45.692 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.481 HA2 :: 4.242 HA3 :: 4.101 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 113.021 Ave N Shift Values>> N :: 109.91(4.29) 1.R36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> R 0.43 C 0.35 K 0.16 G 0.03 L 0.01 C Shift Assignments>> CA :: 56.277 CB :: 30.331 CG :: 27.133 CD :: 42.769 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>> HA :: 4.303 HB2 :: 1.738 HB3 :: 1.533 HG2 :: 1.321 HG3 :: 0.930 HD2 :: 2.768 HD3 :: 2.567 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) 1.T37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 C Shift Assignments>> CA :: 61.926 CB :: 69.398 CG2 :: 21.648 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 :: 8.025 HA :: 4.320 HB :: 4.495 HG21 :: 1.180 HG22 :: 1.180 HG23 :: 1.180 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 :: 106.906 Ave N Shift Values>> N :: 115.7(5.05) 1.S38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.K119 1.K119 C Shift Assignments>> CA :: 56.536 CB :: 63.811 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.592 HA :: 5.001 HB2 :: 4.013 HB3 :: 3.938 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 :: 118.273 Ave N Shift Values>> N :: 116.3(3.95) 1.P39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.8 C 0.19 C Shift Assignments>> CA :: 63.309 CB :: 32.878 CG :: 27.290 CD :: 50.947 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 :: 4.990 HB2 :: 2.245 HB3 :: 1.870 HG2 :: 2.053 HG3 :: 2.053 HD2 :: 3.971 HD3 :: 3.814 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.W40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.51 C 0.47 H 0.01 HN Overlap>> 1.V97 1.E9 1.V97 1.E9 C Shift Assignments>> C :: 175.288 CA :: 56.066 CB :: 30.841 CD1 :: 124.870 CE3 :: 119.687 CZ2 :: 115.329 CZ3 :: 121.701 CH2 :: 124.470 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 8.627 HA :: 5.177 HB2 :: 3.072 HB3 :: 2.870 HD1 :: 7.917 HE1 :: 10.857 HE3 :: 7.059 HZ2 :: 7.681 HZ3 :: 6.891 HH2 :: 7.198 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 121.402 NE1 :: 131.474 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.E41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.69 M 0.15 E 0.14 C Shift Assignments>> C :: 174.026 CA :: 55.365 CB :: 33.504 CG :: 37.187 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 :: 8.878 HA :: 5.372 HB2 :: 2.026 HB3 :: 1.971 HG2 :: 2.175 HG3 :: 2.035 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 :: 121.586 Ave N Shift Values>> N :: 120.68(3.68) 1.I42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.49 C 0.49 C Shift Assignments>> C :: 173.674 CA :: 59.761 CB :: 41.432 CG1 :: 28.794 CG2 :: 18.232 CD1 :: 15.222 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 :: 8.990 HA :: 5.003 HB :: 1.719 HG12 :: 1.575 HG13 :: 1.203 HG21 :: 0.785 HG22 :: 0.785 HG23 :: 0.785 HD11 :: 0.797 HD12 :: 0.797 HD13 :: 0.797 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 125.262 Ave N Shift Values>> N :: 121.6(4.72) 1.Y43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.6 C 0.38 C Shift Assignments>> C :: 174.633 CA :: 55.454 CB :: 41.660 CD1 :: 133.291 CD2 :: 133.291 CE1 :: 118.646 CE2 :: 118.646 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 :: 9.115 HA :: 5.733 HB2 :: 2.914 HB3 :: 2.825 HD1 :: 6.877 HD2 :: 6.877 HE1 :: 6.671 HE2 :: 6.671 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 :: 123.060 Ave N Shift Values>> N :: 120.79(4.69) 1.I44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 I 0.42 HN Overlap>> 1.L98 1.L98 C Shift Assignments>> C :: 172.860 CA :: 60.140 CB :: 40.854 CG1 :: 28.298 CG2 :: 14.460 CD1 :: 14.857 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 :: 8.541 HA :: 4.777 HB :: 1.802 HG12 :: 1.458 HG13 :: 0.644 HG21 :: 0.631 HG22 :: 0.631 HG23 :: 0.631 HD11 :: 0.326 HD12 :: 0.326 HD13 :: 0.326 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 :: 118.232 Ave N Shift Values>> N :: 121.6(4.72) 1.T45 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 :: 172.447 CA :: 63.109 CB :: 68.824 CG2 :: 21.728 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 9.131 HA :: 4.663 HB :: 4.054 HG21 :: 0.934 HG22 :: 0.934 HG23 :: 0.934 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 :: 126.894 Ave N Shift Values>> N :: 115.7(5.05) 1.L46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 G 0.21 C 0.16 A 0.03 R 0.03 C Shift Assignments>> C :: 174.208 CA :: 53.157 CB :: 43.850 CG :: 26.283 CD1 :: 25.822 CD2 :: 23.506 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 :: 8.630 HA :: 4.417 HB2 :: 0.750 HB3 :: 0.750 HG :: 1.312 HD11 :: 0.651 HD12 :: 0.651 HD13 :: 0.651 HD21 :: 0.563 HD22 :: 0.563 HD23 :: 0.563 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 128.273 Ave N Shift Values>> N :: 121.98(4.07) 1.H47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.41 W 0.29 C 0.28 C Shift Assignments>> C :: 172.277 CA :: 52.992 CB :: 30.207 CD2 :: 121.484 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 :: 8.182 HA :: 4.978 HB2 :: 3.258 HB3 :: 2.995 HD2 :: 7.081 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 :: 116.390 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.P48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.76 C 0.23 C Shift Assignments>> C :: 176.624 CA :: 62.754 CB :: 32.345 CG :: 27.795 CD :: 50.786 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 :: 4.429 HB2 :: 2.320 HB3 :: 2.019 HG2 :: 2.146 HG3 :: 1.955 HD2 :: 3.840 HD3 :: 3.781 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.A49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.7 M 0.26 C 0.02 C Shift Assignments>> C :: 177.874 CA :: 53.085 CB :: 18.904 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.582 HA :: 4.383 HB1 :: 1.458 HB2 :: 1.458 HB3 :: 1.458 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.040 Ave N Shift Values>> N :: 123.23(3.7) 1.T50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.89 C 0.1 C Shift Assignments>> C :: 174.038 CA :: 61.021 CB :: 70.199 CG2 :: 21.722 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 :: 7.959 HA :: 4.415 HB :: 4.311 HG21 :: 1.215 HG22 :: 1.215 HG23 :: 1.215 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 111.581 Ave N Shift Values>> N :: 115.7(5.05) 1.A51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.75 M 0.19 C 0.03 L 0.01 C Shift Assignments>> C :: 177.704 CA :: 52.482 CB :: 19.737 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.317 HA :: 4.406 HB1 :: 1.412 HB2 :: 1.412 HB3 :: 1.412 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.721 Ave N Shift Values>> N :: 123.23(3.7) 1.E52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.35 K 0.08 M 0.07 I 0.06 Q 0.04 C Shift Assignments>> C :: 176.369 CA :: 57.143 CB :: 30.059 CG :: 36.332 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 :: 8.489 HA :: 4.218 HB2 :: 2.063 HB3 :: 1.923 HG2 :: 2.258 HG3 :: 2.258 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 :: 119.755 Ave N Shift Values>> N :: 120.68(3.68) 1.D53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 L 0.18 K 0.11 C 0.11 N 0.1 F 0.08 Y 0.07 R 0.02 C Shift Assignments>> C :: 176.369 CA :: 54.275 CB :: 41.056 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 :: 8.263 HA :: 4.513 HB2 :: 2.708 HB3 :: 2.708 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 :: 119.357 Ave N Shift Values>> N :: 120.73(4.2) 1.Q54 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 0.12 M 0.07 R 0.04 C Shift Assignments>> C :: 176.102 CA :: 56.515 CB :: 29.317 CG :: 33.835 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 :: 8.238 HA :: 4.286 HB2 :: 2.151 HB3 :: 2.021 HG2 :: 2.359 HG3 :: 2.359 HE21 :: 7.552 HE22 :: 6.849 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 :: 119.579 NE2 :: 112.734 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.D55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.23 L 0.19 K 0.15 C 0.11 F 0.1 Y 0.08 N 0.06 R 0.04 HN Overlap>> 1.E8 1.E8 C Shift Assignments>> C :: 176.781 CA :: 54.970 CB :: 41.217 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 :: 8.383 HA :: 4.643 HB2 :: 2.784 HB3 :: 2.691 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.453 Ave N Shift Values>> N :: 120.73(4.2) 1.S56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.718 CA :: 59.154 CB :: 63.763 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.163 HA :: 4.385 HB2 :: 3.906 HB3 :: 3.906 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 :: 116.030 Ave N Shift Values>> N :: 116.3(3.95) 1.Q57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.27 K 0.25 C 0.24 E 0.1 M 0.06 R 0.05 HN Overlap>> 1.L20 1.L20 1.Q96 1.Q96 C Shift Assignments>> C :: 175.494 CA :: 55.832 CB :: 29.076 CG :: 33.808 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 :: 8.312 HA :: 4.316 HB2 :: 2.072 HB3 :: 1.959 HG2 :: 2.242 HG3 :: 2.242 HE21 :: 7.510 HE22 :: 6.820 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 :: 120.637 NE2 :: 112.641 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.Y58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.58 C 0.41 C Shift Assignments>> C :: 174.887 CA :: 58.920 CB :: 38.993 CD1 :: 133.064 CD2 :: 133.064 CE1 :: 118.177 CE2 :: 118.177 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 :: 8.060 HA :: 4.455 HB2 :: 3.026 HB3 :: 3.026 HD1 :: 7.084 HD2 :: 7.084 HE1 :: 6.788 HE2 :: 6.788 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 :: 121.961 Ave N Shift Values>> N :: 120.79(4.69) 1.V59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.6 C 0.39 C Shift Assignments>> C :: 175.203 CA :: 60.791 CB :: 33.833 CG1 :: 21.518 CG2 :: 21.249 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 :: 7.503 HA :: 4.599 HB :: 1.937 HG11 :: 0.999 HG12 :: 0.999 HG13 :: 0.999 HG21 :: 1.050 HG22 :: 1.050 HG23 :: 1.050 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 122.147 Ave N Shift Values>> N :: 121.02(4.96) 1.C60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.14 H 0.14 E 0.13 W 0.13 C 0.12 Q 0.12 M 0.07 K 0.07 I 0.01 V 0.01 C Shift Assignments>> C :: 172.338 CA :: 56.718 CB :: 30.388 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.669 HA :: 5.164 HB2 :: 2.835 HB3 :: 2.664 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 :: 117.779 Ave N Shift Values>> N :: 119.95(4.79) 1.F61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.59 C 0.39 C Shift Assignments>> C :: 171.816 CA :: 57.899 CB :: 40.401 CD1 :: 132.474 CD2 :: 132.474 CE1 :: 130.454 CE2 :: 130.454 CZ :: 129.253 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 :: 8.006 HA :: 4.813 HB2 :: 3.357 HB3 :: 2.728 HD1 :: 6.891 HD2 :: 6.891 HE1 :: 7.040 HE2 :: 7.040 HZ :: 6.958 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 :: 111.361 Ave N Shift Values>> N :: 120.69(4.18) 1.T62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.94 C 0.05 C Shift Assignments>> C :: 172.411 CA :: 62.245 CB :: 69.558 CG2 :: 21.018 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 :: 8.605 HA :: 4.862 HB :: 4.027 HG21 :: 1.092 HG22 :: 1.092 HG23 :: 1.092 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 117.287 Ave N Shift Values>> N :: 115.7(5.05) 1.L63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.39 C 0.26 R 0.19 G 0.12 A 0.01 C Shift Assignments>> C :: 173.552 CA :: 54.229 CB :: 43.445 CG :: 27.290 CD1 :: 24.019 CD2 :: 27.064 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 :: 9.180 HA :: 4.620 HB2 :: 2.050 HB3 :: 1.291 HG :: 1.426 HD11 :: 0.912 HD12 :: 0.912 HD13 :: 0.912 HD21 :: 0.760 HD22 :: 0.760 HD23 :: 0.760 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 :: 133.227 Ave N Shift Values>> N :: 121.98(4.07) 1.V64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.64 C 0.35 C Shift Assignments>> C :: 175.009 CA :: 61.200 CB :: 32.093 CG1 :: 20.472 CG2 :: 20.493 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 :: 8.740 HA :: 4.625 HB :: 2.033 HG11 :: 0.531 HG12 :: 0.531 HG13 :: 0.531 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 :: 126.574 Ave N Shift Values>> N :: 121.02(4.96) 1.L65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.49 G 0.26 C 0.18 R 0.05 C Shift Assignments>> C :: 175.240 CA :: 52.237 CB :: 43.703 CG :: 26.786 CD1 :: 26.032 CD2 :: 26.041 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 :: 9.269 HA :: 5.081 HB2 :: 1.891 HB3 :: 0.848 HG :: 1.507 HD11 :: 0.739 HD12 :: 0.739 HD13 :: 0.739 HD21 :: 0.789 HD22 :: 0.789 HD23 :: 0.789 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 125.855 Ave N Shift Values>> N :: 121.98(4.07) 1.Q66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 Q 0.24 K 0.17 E 0.17 M 0.12 R 0.01 C Shift Assignments>> C :: 175.494 CA :: 54.734 CB :: 29.893 CG :: 34.590 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 :: 8.861 HA :: 5.118 HB2 :: 2.078 HB3 :: 2.037 HG2 :: 2.227 HG3 :: 2.121 HE21 :: 7.603 HE22 :: 6.784 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 123.701 NE2 :: 111.679 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.V67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.51 C 0.48 C Shift Assignments>> C :: 172.957 CA :: 60.567 CB :: 33.066 CG1 :: 23.404 CG2 :: 21.006 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.552 HA :: 4.186 HB :: 1.902 HG11 :: 0.469 HG12 :: 0.469 HG13 :: 0.469 HG21 :: 0.536 HG22 :: 0.536 HG23 :: 0.536 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 129.838 Ave N Shift Values>> N :: 121.02(4.96) 1.P68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.64 C 0.35 C Shift Assignments>> C :: 176.527 CA :: 62.292 CB :: 32.596 CG :: 26.806 CD :: 51.687 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 :: 4.680 HB2 :: 2.424 HB3 :: 2.424 HG2 :: 2.134 HG3 :: 1.848 HD2 :: 4.214 HD3 :: 3.662 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.A69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.47 A 0.45 C 0.03 I 0.02 C Shift Assignments>> C :: 178.724 CA :: 54.762 CB :: 18.578 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.746 HA :: 4.051 HB1 :: 1.232 HB2 :: 1.232 HB3 :: 1.232 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.598 Ave N Shift Values>> N :: 123.23(3.7) 1.E70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 E 0.36 I 0.15 K 0.04 M 0.02 C Shift Assignments>> C :: 177.255 CA :: 57.492 CB :: 29.564 CG :: 37.352 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 :: 8.254 HA :: 4.219 HB2 :: 2.248 HB3 :: 1.858 HG2 :: 2.470 HG3 :: 2.245 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 :: 111.309 Ave N Shift Values>> N :: 120.68(3.68) 1.Y71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.61 C 0.37 C Shift Assignments>> C :: 174.657 CA :: 57.593 CB :: 41.357 CD1 :: 132.777 CD2 :: 133.177 CE1 :: 118.394 CE2 :: 119.516 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 :: 8.067 HA :: 4.745 HB2 :: 3.201 HB3 :: 3.132 HD1 :: 7.276 HD2 :: 6.548 HE1 :: 6.840 HE2 :: 6.802 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 :: 122.918 Ave N Shift Values>> N :: 120.79(4.69) 1.P72 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> C 0.69 P 0.26 A 0.02 G 0.01 C Shift Assignments>> C :: 174.293 CA :: 63.811 CB :: 31.969 CG :: 23.754 CD :: 49.462 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 :: 3.790 HB2 :: 1.715 HB3 :: 0.494(S) HG2 :: 1.347 HG3 :: 0.480(S) HD2 :: 3.269 HD3 :: 3.242 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.H73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.35 W 0.34 C 0.29 C Shift Assignments>> C :: 173.710 CA :: 57.314 CB :: 29.852 CD2 :: 119.470 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 :: 8.823 HA :: 4.476 HB2 :: 3.359 HB3 :: 3.118 HD2 :: 7.100 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 :: 125.308 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.E74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.65 M 0.23 E 0.1 C Shift Assignments>> C :: 174.572 CA :: 54.522 CB :: 33.850 CG :: 36.145 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 :: 7.091 HA :: 4.486 HB2 :: 1.803 HB3 :: 1.681 HG2 :: 2.427 HG3 :: 2.345 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 :: 118.691 Ave N Shift Values>> N :: 120.68(3.68) 1.V75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.73 V 0.25 C Shift Assignments>> C :: 173.613 CA :: 60.213 CB :: 31.066 CG1 :: 22.760 CG2 :: 17.974 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 :: 8.264 HA :: 4.371 HB :: 2.243 HG11 :: 1.015 HG12 :: 1.015 HG13 :: 1.015 HG21 :: 0.951 HG22 :: 0.951 HG23 :: 0.951 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 :: 114.699 Ave N Shift Values>> N :: 121.02(4.96) 1.P76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.67 C 0.32 C Shift Assignments>> C :: 175.507 CA :: 62.065 CB :: 32.052 CG :: 27.793 CD :: 51.199 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 :: 4.862 HB2 :: 1.909 HB3 :: 1.565 HG2 :: 1.870 HG3 :: 1.810 HD2 :: 4.165 HD3 :: 3.665 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.Q77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.26 C 0.24 K 0.23 E 0.11 M 0.08 R 0.04 C Shift Assignments>> C :: 176.296 CA :: 55.625 CB :: 29.427 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 :: 8.793 HA :: 4.449 HB2 :: 2.177 HB3 :: 2.074 HG2 :: 2.457 HG3 :: 2.434 HE21 :: 7.645 HE22 :: 6.809 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 :: 120.231 NE2 :: 112.809 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.I78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.71 C 0.27 C Shift Assignments>> C :: 174.875 CA :: 61.253 CB :: 39.945 CG1 :: 27.310 CG2 :: 18.229 CD1 :: 14.564 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 :: 8.574 HA :: 4.753 HB :: 1.617 HG12 :: 1.613 HG13 :: 1.613 HG21 :: 0.756 HG22 :: 0.756 HG23 :: 0.756 HD11 :: 0.748 HD12 :: 0.748 HD13 :: 0.748 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 128.104 Ave N Shift Values>> N :: 121.6(4.72) 1.S79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.97 T 0.02 C Shift Assignments>> C :: 171.221 CA :: 57.412 CB :: 65.597 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.223 HA :: 4.681 HB2 :: 3.843 HB3 :: 3.772 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 :: 121.534 Ave N Shift Values>> N :: 116.3(3.95) 1.I80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.61 C 0.37 C Shift Assignments>> C :: 175.374 CA :: 59.580 CB :: 40.653 CG1 :: 28.086 CG2 :: 17.744 CD1 :: 13.695 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 :: 8.515 HA :: 5.038 HB :: 1.582 HG12 :: 1.038 HG13 :: 1.388 HG21 :: 0.687 HG22 :: 0.687 HG23 :: 0.687 HD11 :: 0.372 HD12 :: 0.372 HD13 :: 0.372 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 119.128 Ave N Shift Values>> N :: 121.6(4.72) 1.R81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 G 0.26 R 0.12 K 0.08 C Shift Assignments>> C :: 173.977 CA :: 53.714 CB :: 34.590 CG :: 27.284 CD :: 43.776 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 :: 9.419 HA :: 4.813 HB2 :: 1.711 HB3 :: 1.551 HG2 :: 1.542 HG3 :: 1.542 HD2 :: 3.154 HD3 :: 2.911 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 :: 125.896 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.N82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.37 C 0.18 D 0.15 Y 0.11 F 0.08 L 0.03 E 0.02 M 0.01 C Shift Assignments>> CA :: 53.927 CB :: 38.490 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 9.358 HA :: 4.511 HB2 :: 2.928 HB3 :: 2.710 HD21 :: 7.705 HD22 :: 6.922 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 :: 117.680 ND2 :: 113.138 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.P83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.82 C 0.17 C Shift Assignments>> C :: 176.599 CA :: 63.554 CB :: 32.497 CG :: 27.517 CD :: 50.973 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 :: 4.989 HB2 :: 2.250 HB3 :: 1.747 HG2 :: 2.274 HG3 :: 2.034 HD2 :: 3.828 HD3 :: 3.270 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.R84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 R 0.31 G 0.13 K 0.09 C Shift Assignments>> C :: 175.628 CA :: 55.996 CB :: 33.129 CG :: 26.901 CD :: 43.780 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 :: 9.190 HA :: 4.633 HB2 :: 1.959 HB3 :: 1.873 HG2 :: 1.644 HG3 :: 1.510 HD2 :: 3.164 HD3 :: 3.164 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 :: 122.823 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.G85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.11 L 0.06 C Shift Assignments>> C :: 173.345 CA :: 46.170 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.664 HA2 :: 4.249 HA3 :: 3.768 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.664 Ave N Shift Values>> N :: 109.91(4.29) 1.L86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.6 L 0.19 C 0.18 C Shift Assignments>> C :: 176.806 CA :: 52.837 CB :: 45.790 CG :: 26.544 CD1 :: 26.916 CD2 :: 24.413 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 :: 7.514 HA :: 5.011 HB2 :: 1.469 HB3 :: 1.331 HG :: 1.670 HD11 :: 0.679 HD12 :: 0.679 HD13 :: 0.679 HD21 :: 0.705 HD22 :: 0.705 HD23 :: 0.705 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 :: 117.805 Ave N Shift Values>> N :: 121.98(4.07) 1.S87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.97 T 0.02 C Shift Assignments>> C :: 174.669 CA :: 56.569 CB :: 65.703 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.428 HA :: 4.578 HB2 :: 4.454 HB3 :: 4.033 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 120.639 Ave N Shift Values>> N :: 116.3(3.95) 1.D88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.26 Y 0.25 C 0.18 I 0.09 L 0.06 D 0.06 K 0.04 N 0.01 C Shift Assignments>> C :: 178.930 CA :: 57.939 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>> H :: 9.026 HA :: 4.316 HB2 :: 2.623 HB3 :: 2.623 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 121.387 Ave N Shift Values>> N :: 120.73(4.2) 1.E89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.29 I 0.29 K 0.04 M 0.01 Q 0.01 C Shift Assignments>> C :: 179.307 CA :: 59.967 CB :: 29.279 CG :: 36.624 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 :: 8.640 HA :: 4.104 HB2 :: 2.071 HB3 :: 1.960 HG2 :: 2.323 HG3 :: 2.323 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 :: 120.081 Ave N Shift Values>> N :: 120.68(3.68) 1.Q90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 E 0.3 K 0.11 Q 0.1 I 0.1 M 0.05 C Shift Assignments>> C :: 178.724 CA :: 59.280 CB :: 29.803 CG :: 35.374 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 :: 7.930 HA :: 4.041 HB2 :: 2.429 HB3 :: 1.824 HG2 :: 2.450 HG3 :: 2.402 HE21 :: 7.624 HE22 :: 7.052 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 :: 120.837 NE2 :: 112.338 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.I91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.93 C 0.06 C Shift Assignments>> C :: 176.781 CA :: 65.785 CB :: 37.873 CG1 :: 30.321 CG2 :: 16.983 CD1 :: 13.438 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 :: 8.119 HA :: 3.278 HB :: 1.899 HG12 :: 1.663 HG13 :: 0.687 HG21 :: 0.790 HG22 :: 0.790 HG23 :: 0.790 HD11 :: 0.744 HD12 :: 0.744 HD13 :: 0.744 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 120.140 Ave N Shift Values>> N :: 121.6(4.72) 1.H92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.43 C 0.31 H 0.25 C Shift Assignments>> C :: 178.141 CA :: 60.151 CB :: 29.817 CD2 :: 120.191 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 :: 8.052 HA :: 4.200 HB2 :: 3.266 HB3 :: 3.198 HD2 :: 7.037 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 :: 117.661 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.T93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 C 0.01 C Shift Assignments>> C :: 175.579 CA :: 67.285 CB :: 68.698 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 :: 8.244 HA :: 3.862 HB :: 4.327 HG21 :: 1.209 HG22 :: 1.209 HG23 :: 1.209 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 117.018 Ave N Shift Values>> N :: 115.7(5.05) 1.I94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.94 C 0.04 HN Overlap>> 1.E120 1.E120 C Shift Assignments>> C :: 177.389 CA :: 66.335 CB :: 37.889 CG1 :: 29.801 CG2 :: 17.879 CD1 :: 13.951 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 :: 8.159 HA :: 3.434 HB :: 1.661 HG12 :: 1.822 HG13 :: 0.757 HG21 :: 0.561 HG22 :: 0.561 HG23 :: 0.561 HD11 :: 0.361 HD12 :: 0.361 HD13 :: 0.361 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 :: 121.677 Ave N Shift Values>> N :: 121.6(4.72) 1.L95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 C 0.37 R 0.05 HN Overlap>> 1.E113 1.E113 C Shift Assignments>> C :: 180.545 CA :: 58.337 CB :: 41.407 CG :: 26.805 CD1 :: 25.548 CD2 :: 23.036 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 :: 7.921 HA :: 3.776 HB2 :: 1.876 HB3 :: 1.357 HG :: 1.698 HD11 :: 0.874 HD12 :: 0.874 HD13 :: 0.874 HD21 :: 0.692 HD22 :: 0.692 HD23 :: 0.692 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 :: 117.078 Ave N Shift Values>> N :: 121.98(4.07) 1.Q96 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 0.12 R 0.05 M 0.03 I 0.02 HN Overlap>> 1.Q57 1.Q57 C Shift Assignments>> C :: 179.003 CA :: 58.756 CB :: 28.905 CG :: 33.861 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 :: 8.214 HA :: 3.946 HB2 :: 2.127 HB3 :: 2.127 HG2 :: 2.274 HG3 :: 2.145 HE21 :: 7.226 HE22 :: 6.879 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 :: 120.638 NE2 :: 112.326 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.V97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.95 C 0.04 HN Overlap>> 1.E9 1.W40 1.E9 1.W40 C Shift Assignments>> C :: 179.136 CA :: 66.587 CB :: 31.798 CG1 :: 22.758 CG2 :: 21.500 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.605 HA :: 3.715 HB :: 2.082 HG11 :: 1.095 HG12 :: 1.095 HG13 :: 1.095 HG21 :: 0.933 HG22 :: 0.933 HG23 :: 0.933 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 121.374 Ave N Shift Values>> N :: 121.02(4.96) 1.L98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 L 0.44 R 0.07 K 0.01 HN Overlap>> 1.I44 1.I44 C Shift Assignments>> C :: 178.821 CA :: 58.503 CB :: 40.883 CG :: 27.562 CD1 :: 26.382 CD2 :: 23.466 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 :: 8.580 HA :: 3.955 HB2 :: 1.841 HB3 :: 1.365 HG :: 2.002 HD11 :: 0.769 HD12 :: 0.769 HD13 :: 0.769 HD21 :: 0.817 HD22 :: 0.817 HD23 :: 0.817 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 :: 118.223 Ave N Shift Values>> N :: 121.98(4.07) 1.G99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.68 C 0.22 L 0.03 A 0.02 P 0.02 C Shift Assignments>> C :: 176.879 CA :: 47.341 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.087 HA2 :: 3.914 HA3 :: 3.775 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.456 Ave N Shift Values>> N :: 109.91(4.29) 1.H100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.4 C 0.32 H 0.27 C Shift Assignments>> C :: 178.372 CA :: 59.667 CB :: 30.309 CD2 :: 119.687 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 :: 7.868 HA :: 4.462 HB2 :: 3.341 HB3 :: 3.341 HD2 :: 6.990 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 :: 122.331 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.V101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.94 C 0.05 C Shift Assignments>> C :: 178.567 CA :: 66.305 CB :: 31.541 CG1 :: 23.109 CG2 :: 21.693 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 :: 8.197 HA :: 3.611 HB :: 2.244 HG11 :: 1.131 HG12 :: 1.131 HG13 :: 1.131 HG21 :: 0.855 HG22 :: 0.855 HG23 :: 0.855 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 122.158 Ave N Shift Values>> N :: 121.02(4.96) 1.A102 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 :: 178.396 CA :: 54.625 CB :: 18.232 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.350 HA :: 4.431 HB1 :: 1.519 HB2 :: 1.519 HB3 :: 1.519 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.855 Ave N Shift Values>> N :: 123.23(3.7) 1.K103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.37 R 0.19 M 0.01 G 0.01 C Shift Assignments>> C :: 179.817 CA :: 59.250 CB :: 32.325 CG :: 25.332 CD :: 29.325 CE :: 42.136 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 :: 7.651 HA :: 3.833 HB2 :: 1.911 HB3 :: 1.911 HG2 :: 1.585 HG3 :: 1.483 HD2 :: 1.728 HD3 :: 1.728 HE2 :: 3.007 HE3 :: 3.007 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 :: 115.457 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.A104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.52 M 0.43 C 0.02 I 0.01 C Shift Assignments>> C :: 178.821 CA :: 54.049 CB :: 17.905 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.033 HA :: 4.147 HB1 :: 1.410 HB2 :: 1.410 HB3 :: 1.410 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.706 Ave N Shift Values>> N :: 123.23(3.7) 1.G105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.48 L 0.19 R 0.15 C 0.1 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 173.552 CA :: 44.556 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.765 HA2 :: 4.246 HA3 :: 3.625 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.726 Ave N Shift Values>> N :: 109.91(4.29) 1.L106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 C 0.31 R 0.1 G 0.04 C Shift Assignments>> C :: 177.728 CA :: 57.654 CB :: 42.892 CG :: 26.977 CD1 :: 25.255 CD2 :: 24.472 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 6.991 HA :: 3.873 HB2 :: 1.767 HB3 :: 1.554 HG :: 1.852 HD11 :: 0.953 HD12 :: 0.953 HD13 :: 0.953 HD21 :: 0.814 HD22 :: 0.814 HD23 :: 0.814 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 :: 121.215 Ave N Shift Values>> N :: 121.98(4.07) 1.G107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.53 L 0.18 R 0.12 C 0.1 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 173.379 CA :: 44.670 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.434 HA2 :: 4.354 HA3 :: 2.955 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.667 Ave N Shift Values>> N :: 109.91(4.29) 1.T108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.71 C 0.28 C Shift Assignments>> C :: 170.772 CA :: 59.738 CB :: 72.344 CG2 :: 21.475 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 :: 8.062 HA :: 4.500 HB :: 4.118 HG21 :: 1.095 HG22 :: 1.095 HG23 :: 1.095 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 :: 113.638 Ave N Shift Values>> N :: 115.7(5.05) 1.A109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.64 M 0.33 C 0.01 C Shift Assignments>> C :: 178.251 CA :: 52.706 CB :: 17.220 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.839 HA :: 4.319 HB1 :: 1.293 HB2 :: 1.293 HB3 :: 1.293 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.534 Ave N Shift Values>> N :: 123.23(3.7) 1.M110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 M 0.29 A 0.13 I 0.07 C Shift Assignments>> C :: 176.429 CA :: 55.997 CB :: 36.527 CG :: 30.956 CE :: 16.979 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 :: 8.257 HA :: 4.987 HB2 :: 2.142 HB3 :: 2.142 HG2 :: 2.947 HG3 :: 2.325 HE1 :: 2.155 HE2 :: 2.155 HE3 :: 2.155 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 :: 123.344 Ave N Shift Values>> N :: 120.1(3.88) 1.L111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 L 0.42 R 0.02 C Shift Assignments>> C :: 178.554 CA :: 59.888 CB :: 41.390 CG :: 26.041 CD1 :: 26.061 CD2 :: 22.600 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 :: 9.498 HA :: 3.856 HB2 :: 1.969 HB3 :: 1.023 HG :: 2.291 HD11 :: 0.427 HD12 :: 0.427 HD13 :: 0.427 HD21 :: 0.577 HD22 :: 0.577 HD23 :: 0.577 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 :: 123.290 Ave N Shift Values>> N :: 121.98(4.07) 1.Y112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.64 C 0.35 C Shift Assignments>> C :: 176.296 CA :: 61.331 CB :: 38.250 CD1 :: 133.281 CD2 :: 133.281 CE1 :: 118.177 CE2 :: 118.177 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 :: 9.152 HA :: 4.188 HB2 :: 3.136 HB3 :: 2.933 HD1 :: 7.103 HD2 :: 7.103 HE1 :: 6.713 HE2 :: 6.713 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 :: 118.389 Ave N Shift Values>> N :: 120.79(4.69) 1.E113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 I 0.31 E 0.28 K 0.04 HN Overlap>> 1.L95 1.L95 C Shift Assignments>> C :: 179.793 CA :: 59.728 CB :: 28.863 CG :: 36.775 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 :: 8.028 HA :: 3.732 HB2 :: 2.117 HB3 :: 1.889 HG2 :: 2.338 HG3 :: 2.300 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 :: 117.099 Ave N Shift Values>> N :: 120.68(3.68) 1.L114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.4 C 0.35 R 0.18 G 0.04 K 0.01 C Shift Assignments>> C :: 177.668 CA :: 58.548 CB :: 42.742 CG :: 26.995 CD1 :: 26.650 CD2 :: 25.286 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 :: 7.953 HA :: 3.892 HB2 :: 2.109 HB3 :: 1.212 HG :: 1.896 HD11 :: 0.838 HD12 :: 0.838 HD13 :: 0.838 HD21 :: 0.864 HD22 :: 0.864 HD23 :: 0.864 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 :: 118.961 Ave N Shift Values>> N :: 121.98(4.07) 1.I115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.93 C 0.06 C Shift Assignments>> C :: 178.311 CA :: 66.173 CB :: 38.140 CG1 :: 30.034 CG2 :: 18.408 CD1 :: 14.193 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 :: 7.999 HA :: 3.226 HB :: 1.848 HG12 :: 1.766 HG13 :: 0.548 HG21 :: 0.522 HG22 :: 0.522 HG23 :: 0.522 HD11 :: 0.549 HD12 :: 0.549 HD13 :: 0.549 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 119.299 Ave N Shift Values>> N :: 121.6(4.72) 1.E116 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.33 E 0.33 I 0.19 K 0.08 Q 0.02 M 0.01 C Shift Assignments>> C :: 180.315 CA :: 58.979 CB :: 29.102 CG :: 36.363 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 :: 8.423 HA :: 3.737 HB2 :: 1.925 HB3 :: 1.643 HG2 :: 1.835 HG3 :: 1.565(S) 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 :: 116.034 Ave N Shift Values>> N :: 120.68(3.68) 1.K117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.34 C 0.34 K 0.25 L 0.04 C Shift Assignments>> C :: 178.579 CA :: 57.256 CB :: 29.770 CG :: 24.774 CD :: 27.438 CE :: 41.842 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 :: 8.278 HA :: 4.217 HB2 :: 2.024 HB3 :: 1.955 HG2 :: 1.409 HG3 :: 1.409 HD2 :: 1.741 HD3 :: 1.741 HE2 :: 2.867 HE3 :: 2.728 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 :: 121.349 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.G118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.59 C 0.25 P 0.05 A 0.03 L 0.02 N 0.01 C Shift Assignments>> C :: 173.916 CA :: 47.600 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.204 HA2 :: 3.701 HA3 :: 3.523 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.196 Ave N Shift Values>> N :: 109.91(4.29) 1.K119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 K 0.34 R 0.22 M 0.01 HN Overlap>> 1.S38 1.S38 C Shift Assignments>> C :: 179.137 CA :: 59.814 CB :: 32.695 CG :: 26.307 CD :: 29.728 CE :: 41.634 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 :: 7.670 HA :: 3.806 HB2 :: 1.955 HB3 :: 1.879 HG2 :: 1.653 HG3 :: 1.451 HD2 :: 1.775 HD3 :: 1.722 HE2 :: 2.992 HE3 :: 2.923 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 :: 118.266 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.34 I 0.12 M 0.06 K 0.06 Q 0.03 HN Overlap>> 1.I94 1.I94 C Shift Assignments>> C :: 179.622 CA :: 59.028 CB :: 30.321 CG :: 36.116 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 :: 8.164 HA :: 4.070 HB2 :: 2.290 HB3 :: 2.208 HG2 :: 2.398 HG3 :: 2.133 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 :: 121.692 Ave N Shift Values>> N :: 120.68(3.68) 1.I121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.86 C 0.13 C Shift Assignments>> C :: 177.947 CA :: 63.887 CB :: 38.175 CG1 :: 28.317 CG2 :: 17.967 CD1 :: 14.692 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 :: 8.175 HA :: 3.928 HB :: 1.935 HG12 :: 1.760 HG13 :: 1.304 HG21 :: 0.952 HG22 :: 0.952 HG23 :: 0.952 HD11 :: 0.863 HD12 :: 0.863 HD13 :: 0.863 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 :: 118.715 Ave N Shift Values>> N :: 121.6(4.72) 1.L122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.28 R 0.07 G 0.02 A 0.01 C Shift Assignments>> C :: 177.644 CA :: 56.038 CB :: 42.469 CG :: 26.398 CD1 :: 25.548 CD2 :: 23.282 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 :: 7.577 HA :: 4.229 HB2 :: 1.832 HB3 :: 1.563 HG :: 1.840 HD11 :: 0.725 HD12 :: 0.725 HD13 :: 0.725 HD21 :: 0.807 HD22 :: 0.807 HD23 :: 0.807 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 :: 118.646 Ave N Shift Values>> N :: 121.98(4.07) 1.S123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.353 CA :: 59.586 CB :: 64.035 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.801 HA :: 4.503 HB2 :: 4.030 HB3 :: 4.030 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 :: 113.170 Ave N Shift Values>> N :: 116.3(3.95) 1.G124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.66 L 0.13 C 0.09 R 0.07 F 0.01 C Shift Assignments>> C :: 171.597 CA :: 44.969 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.892 HA2 :: 4.221 HA3 :: 4.126 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.619 Ave N Shift Values>> N :: 109.91(4.29) 1.P125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.81 C 0.18 C Shift Assignments>> CA :: 63.209 CB :: 32.221 CG :: 27.215 CD :: 49.918 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 :: 4.515 HB2 :: 2.310 HB3 :: 1.990 HG2 :: 2.035 HG3 :: 2.035 HD2 :: 3.672 HD3 :: 3.672 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.S126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 58.533 CB :: 63.890 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.579 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 :: 116.646 Ave N Shift Values>> N :: 116.3(3.95) 1.S127 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G128 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable ########################################################################### Overall Results: #Consistent: 122 #Clerical: 0 #Suspicious: 6 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 124 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 4 Shift Relative Order (SRO) Results: #Consistent: 128 #Suspicious: 0 C Shift Results: #Consistent: 537 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 854 #Duplicate: 0 #Unknown: 0 #Suspicious: 14 #Anomalous: 0 N Shift Results: #Consistent: 122 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.L13 H = 5.467(S), Expected = 8.22, Std = 0.6500, ChiSquare = 2.2816e-05 1.L13 HB2 = 0.117(S), Expected = 1.63, Std = 0.3400, ChiSquare = 8.5870e-06 1.L13 HB3 = -0.562(S), Expected = 1.57, Std = 0.3600, ChiSquare = 3.1762e-09 1.L13 HG = 0.150(S), Expected = 1.54, Std = 0.3300, ChiSquare = 2.5298e-05 1.L13 HD21 = -0.518(S), Expected = 0.76, Std = 0.2800, ChiSquare = 5.0120e-06 1.L13 HD22 = -0.518(S), Expected = 0.76, Std = 0.2800, ChiSquare = 5.0120e-06 1.L13 HD23 = -0.518(S), Expected = 0.76, Std = 0.2800, ChiSquare = 5.0120e-06 1.P14 HD3 = 2.259(S), Expected = 3.63, Std = 0.4000, ChiSquare = 6.0917e-04 1.K32 HB3 = 0.662(S), Expected = 1.78, Std = 0.2600, ChiSquare = 1.7080e-05 1.K32 HG3 = -0.009(S), Expected = 1.37, Std = 0.2900, ChiSquare = 1.9828e-06 1.G33 H = 5.224(S), Expected = 8.34, Std = 0.7400, ChiSquare = 2.5446e-05 1.P72 HB3 = 0.494(S), Expected = 2.05, Std = 0.3900, ChiSquare = 6.6145e-05 1.P72 HG3 = 0.480(S), Expected = 1.92, Std = 0.3700, ChiSquare = 9.9466e-05 1.E116 HG3 = 1.565(S), Expected = 2.31, Std = 0.2100, ChiSquare = 3.8873e-04